Saturday, December 31, 2011

All Chemical Compounds Information




Product OPENEYE NAME: tert-butyl N-[[3-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodo-anilino)phenoxy]phenyl]methyl]carbamate
CAS Name: N-[[3-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]phenyl]methyl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[[3-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]phenyl]methyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[[3-[2-aminocarbonyl-5-fluoranyl-3-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenoxy]phenyl]methyl]carbamate
MOLECULAR FORMULA: C25H24F2IN3O4
MOLECULAR WEIGHT: 595.377036
SMILES: CC(C)(C)OC(=O)NCC1=CC(=CC=C1)OC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C(=O)N
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Product OPENEYE NAME: 3-[[6-[2-(3-methyl-4-phenyl-phenyl)ethoxy]tetralin-1-yl]amino]cyclobutanecarboxylic acid
CAS Name: 3-[[6-[2-(3-methyl-4-phenylphenyl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-cyclobutanecarboxylic acid
IUPAC NAME: 3-[[6-[2-(3-methyl-4-phenylphenyl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclobutane-1-carboxylic acid
SYSTEMATIC NAME: 3-[[6-[2-(3-methyl-4-phenyl-phenyl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclobutane-1-carboxylic acid
MOLECULAR FORMULA: C30H33NO3
MOLECULAR WEIGHT: 455.58792
SMILES: CC1=C(C=CC(=C1)CCOC2=CC3=C(C=C2)C(CCC3)NC4CC(C4)C(=O)O)C5=CC=CC=C5
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Product OPENEYE NAME: 3-[methyl-[6-[5-(3-methyl-4-phenyl-phenyl)-1,2,4-oxadiazol-3-yl]tetralin-1-yl]amino]cyclobutanecarboxylic acid
CAS Name: 3-[methyl-[6-[5-(3-methyl-4-phenylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-cyclobutanecarboxylic acid
IUPAC NAME: 3-[methyl-[6-[5-(3-methyl-4-phenylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclobutane-1-carboxylic acid
SYSTEMATIC NAME: 3-[methyl-[6-[5-(3-methyl-4-phenyl-phenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclobutane-1-carboxylic acid
MOLECULAR FORMULA: C31H31N3O3
MOLECULAR WEIGHT: 493.59614
SMILES: CC1=C(C=CC(=C1)C2=NC(=NO2)C3=CC4=C(C=C3)C(CCC4)N(C)C5CC(C5)C(=O)O)C6=CC=CC=C6
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Product OPENEYE NAME: 3-[[6-[5-[4-(3-furyl)-3-methyl-phenyl]-1,2,4-oxadiazol-3-yl]tetralin-1-yl]amino]cyclobutanecarboxylic acid
CAS Name: 3-[[6-[5-[4-(3-furanyl)-3-methylphenyl]-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-cyclobutanecarboxylic acid
IUPAC NAME: 3-[[6-[5-[4-(furan-3-yl)-3-methylphenyl]-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclobutane-1-carboxylic acid
SYSTEMATIC NAME: 3-[[6-[5-[4-(furan-3-yl)-3-methyl-phenyl]-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclobutane-1-carboxylic acid
MOLECULAR FORMULA: C28H27N3O4
MOLECULAR WEIGHT: 469.53168
SMILES: CC1=C(C=CC(=C1)C2=NC(=NO2)C3=CC4=C(C=C3)C(CCC4)NC5CC(C5)C(=O)O)C6=COC=C6
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Product OPENEYE NAME: 3-[[6-[5-[3,5-dimethyl-4-(4-pyridyl)phenyl]-1,2,4-oxadiazol-3-yl]tetralin-1-yl]amino]cyclobutanecarboxylic acid
CAS Name: 3-[[6-[5-(3,5-dimethyl-4-pyridin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-cyclobutanecarboxylic acid
IUPAC NAME: 3-[[6-[5-(3,5-dimethyl-4-pyridin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclobutane-1-carboxylic acid
SYSTEMATIC NAME: 3-[[6-[5-(3,5-dimethyl-4-pyridin-4-yl-phenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclobutane-1-carboxylic acid
MOLECULAR FORMULA: C30H30N4O3
MOLECULAR WEIGHT: 494.5842
SMILES: CC1=CC(=CC(=C1C2=CC=NC=C2)C)C3=NC(=NO3)C4=CC5=C(C=C4)C(CCC5)NC6CC(C6)C(=O)O
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Product OPENEYE NAME: 3-[[6-[5-(3,5-dimethyl-4-phenyl-phenyl)-1,2,4-oxadiazol-3-yl]tetralin-1-yl]amino]cyclobutanecarboxylic acid
CAS Name: 3-[[6-[5-(3,5-dimethyl-4-phenylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-cyclobutanecarboxylic acid
IUPAC NAME: 3-[[6-[5-(3,5-dimethyl-4-phenylphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclobutane-1-carboxylic acid
SYSTEMATIC NAME: 3-[[6-[5-(3,5-dimethyl-4-phenyl-phenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclobutane-1-carboxylic acid
MOLECULAR FORMULA: C31H31N3O3
MOLECULAR WEIGHT: 493.59614
SMILES: CC1=CC(=CC(=C1C2=CC=CC=C2)C)C3=NC(=NO3)C4=CC5=C(C=C4)C(CCC5)NC6CC(C6)C(=O)O
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Product OPENEYE NAME: N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]butan-1-amine
CAS Name: N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-butanamine
IUPAC NAME: N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]butan-1-amine
SYSTEMATIC NAME: N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]butan-1-amine
MOLECULAR FORMULA: C14H21NO4S
MOLECULAR WEIGHT: 299.38584
SMILES: CCCCNCC1COC2=C(O1)C=C(C=C2)S(=O)(=O)C
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Product OPENEYE NAME: 4-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]morpholine
CAS Name: 4-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]morpholine
IUPAC NAME: 4-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]morpholine
SYSTEMATIC NAME: 4-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]morpholine
MOLECULAR FORMULA: C14H19NO5S
MOLECULAR WEIGHT: 313.36936
SMILES: CS(=O)(=O)C1=CC2=C(C=C1)OCC(O2)CN3CCOCC3
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Product OPENEYE NAME: N-ethyl-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]propan-1-amine
CAS Name: N-ethyl-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-propanamine
IUPAC NAME: N-ethyl-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]propan-1-amine
SYSTEMATIC NAME: N-ethyl-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]propan-1-amine
MOLECULAR FORMULA: C15H23NO4S
MOLECULAR WEIGHT: 313.41242
SMILES: CCCN(CC)CC1COC2=C(O1)C=C(C=C2)S(=O)(=O)C
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Product OPENEYE NAME: N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]propan-2-amine
CAS Name: N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-2-propanamine
IUPAC NAME: N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]propan-2-amine
SYSTEMATIC NAME: N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]propan-2-amine
MOLECULAR FORMULA: C13H19NO4S
MOLECULAR WEIGHT: 285.35926
SMILES: CC(C)NCC1COC2=C(O1)C=C(C=C2)S(=O)(=O)C
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Product OPENEYE NAME: 2-methyl-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]propan-1-amine
CAS Name: 2-methyl-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-propanamine
IUPAC NAME: 2-methyl-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]propan-1-amine
SYSTEMATIC NAME: 2-methyl-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]propan-1-amine
MOLECULAR FORMULA: C14H21NO4S
MOLECULAR WEIGHT: 299.38584
SMILES: CC(C)CNCC1COC2=C(O1)C=C(C=C2)S(=O)(=O)C
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Product OPENEYE NAME: N-[(5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]prop-2-en-1-amine
CAS Name: N-[(5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-propen-1-amine
IUPAC NAME: N-[(5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]prop-2-en-1-amine
SYSTEMATIC NAME: N-[(5-fluoranyl-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]prop-2-en-1-amine
MOLECULAR FORMULA: C13H16FNO4S
MOLECULAR WEIGHT: 301.333843
SMILES: CS(=O)(=O)C1=CC(=C2C(=C1)OC(CO2)CNCC=C)F
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Product OPENEYE NAME: N-[[(3S)-5-fluoro-6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethanamine
CAS Name: N-[[(3S)-5-fluoro-6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethanamine
IUPAC NAME: N-[[(3S)-5-fluoro-6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethanamine
SYSTEMATIC NAME: N-[[(3S)-5-fluoranyl-6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethanamine
MOLECULAR FORMULA: C12H16FNO4S
MOLECULAR WEIGHT: 289.323143
SMILES: CCNC[C@H]1COC2=C(O1)C(=C(C=C2)S(=O)(=O)C)F
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Product OPENEYE NAME: 1-[(2S)-5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]-N-methyl-methanamine
CAS Name: 1-[(2S)-5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]-N-methylmethanamine
IUPAC NAME: 1-[(2S)-5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]-N-methylmethanamine
SYSTEMATIC NAME: 1-[(2S)-5-fluoranyl-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]-N-methyl-methanamine
MOLECULAR FORMULA: C11H14FNO4S
MOLECULAR WEIGHT: 275.296563
SMILES: CNC[C@H]1COC2=C(C=C(C=C2O1)S(=O)(=O)C)F
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Product OPENEYE NAME: N-[[(3S)-6-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propan-1-amine
CAS Name: N-[[(3S)-6-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propanamine
IUPAC NAME: N-[[(3S)-6-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propan-1-amine
SYSTEMATIC NAME: N-[[(3S)-6-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propan-1-amine
MOLECULAR FORMULA: C13H16F3NO4S
MOLECULAR WEIGHT: 339.33065
SMILES: CCCNC[C@H]1COC2=C(O1)C=C(C=C2)S(=O)(=O)C(F)(F)F
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Product OPENEYE NAME: 1-[2-[2-[2,2-bis[2-[2-[2-[bis[(2-phenyl-1,3-dioxolan-4-yl)methyl]amino]propoxy]propoxy]propoxymethyl]butoxy]-1-methyl-ethoxy]-1-methyl-ethoxy]-N,N-bis[(2-phenyl-1,3-dioxolan-4-yl)methyl]propan-2-amine
CAS Name: 1-[1-[1-[2,2-bis[2-[2-[2-[bis[(2-phenyl-1,3-dioxolan-4-yl)methyl]amino]propoxy]propoxy]propoxymethyl]butoxy]propan-2-yloxy]propan-2-yloxy]-N,N-bis[(2-phenyl-1,3-dioxolan-4-yl)methyl]-2-propanamine
IUPAC NAME: 1-[1-[1-[2,2-bis[2-[2-[2-[bis[(2-phenyl-1,3-dioxolan-4-yl)methyl]amino]propoxy]propoxy]propoxymethyl]butoxy]propan-2-yloxy]propan-2-yloxy]-N,N-bis[(2-phenyl-1,3-dioxolan-4-yl)methyl]propan-2-amine
SYSTEMATIC NAME: 1-[1-[1-[2,2-bis[2-[2-[2-[bis[(2-phenyl-1,3-dioxolan-4-yl)methyl]amino]propoxy]propoxy]propoxymethyl]butoxy]propan-2-yloxy]propan-2-yloxy]-N,N-bis[(2-phenyl-1,3-dioxolan-4-yl)methyl]propan-2-amine
MOLECULAR FORMULA: C93H131N3O21
MOLECULAR WEIGHT: 1627.04274
SMILES: CCC(COCC(C)OCC(C)OCC(C)N(CC1COC(O1)C2=CC=CC=C2)CC3COC(O3)C4=CC=CC=C4)(COCC(C)OCC(C)OCC(C)N(CC5COC(O5)C6=CC=CC=C6)CC7COC(O7)C8=CC=CC=C8)COCC(C)OCC(C)OCC(C)N(CC9COC(O9)C1=CC=CC=C1)CC1COC(O1)C1=CC=CC=C1
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Product OPENEYE NAME: 1-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]butoxymethyl]-2-[2-[2-(2-hydroxypropoxy)propoxy]propoxymethyl]butoxy]-1-methyl-ethoxy]-1-methyl-ethoxy]propan-2-ol
CAS Name: 1-[1-[1-[2-[2-[2-(2-hydroxypropoxy)propoxy]butoxymethyl]-2-[2-[2-(2-hydroxypropoxy)propoxy]propoxymethyl]butoxy]propan-2-yloxy]propan-2-yloxy]-2-propanol
IUPAC NAME: 1-[1-[1-[2-[2-[2-(2-hydroxypropoxy)propoxy]butoxymethyl]-2-[2-[2-(2-hydroxypropoxy)propoxy]propoxymethyl]butoxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol
SYSTEMATIC NAME: 1-[1-[1-[2-[2-[2-(2-oxidanylpropoxy)propoxy]butoxymethyl]-2-[2-[2-(2-oxidanylpropoxy)propoxy]propoxymethyl]butoxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol
MOLECULAR FORMULA: C34H70O12
MOLECULAR WEIGHT: 670.9124
SMILES: CCC(COCC(CC)(COCC(C)OCC(C)OCC(C)O)COCC(C)OCC(C)OCC(C)O)OCC(C)OCC(C)O
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Product OPENEYE NAME: 3-[2-[2-[2-[2-[2-[2-[2-(2-cyanopropoxy)propoxy]propoxy]butoxymethyl]-2-[2-[2-[2-(2-cyanopropoxy)propoxy]propoxy]propoxymethyl]butoxy]-1-methyl-ethoxy]-1-methyl-ethoxy]-1-methyl-ethoxy]-2-methyl-propanenitrile
CAS Name: 3-[1-[1-[1-[2-[2-[2-[2-(2-cyanopropoxy)propoxy]propoxy]butoxymethyl]-2-[2-[2-[2-(2-cyanopropoxy)propoxy]propoxy]propoxymethyl]butoxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-2-methylpropanenitrile
IUPAC NAME: 3-[1-[1-[1-[2-[2-[2-[2-(2-cyanopropoxy)propoxy]propoxy]butoxymethyl]-2-[2-[2-[2-(2-cyanopropoxy)propoxy]propoxy]propoxymethyl]butoxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-2-methylpropanenitrile
SYSTEMATIC NAME: 3-[1-[1-[1-[2-[2-[2-[2-(2-cyanopropoxy)propoxy]propoxy]butoxymethyl]-2-[2-[2-[2-(2-cyanopropoxy)propoxy]propoxy]propoxymethyl]butoxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-2-methyl-propanenitrile
MOLECULAR FORMULA: C46H85N3O12
MOLECULAR WEIGHT: 872.18
SMILES: CCC(COCC(CC)(COCC(C)OCC(C)OCC(C)OCC(C)C#N)COCC(C)OCC(C)OCC(C)OCC(C)C#N)OCC(C)OCC(C)OCC(C)C#N
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All Chemical Compounds Information




Product OPENEYE NAME: 5-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
CAS Name: 5-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
IUPAC NAME: 5-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
SYSTEMATIC NAME: 5-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
MOLECULAR FORMULA: C17H10Cl2F3N3O3
MOLECULAR WEIGHT: 432.18081
SMILES: C1=CC=C(C(=C1)CNC(=O)C2=NC(=C3C=C(C(=O)C(=C3)Cl)Cl)ON2)C(F)(F)F
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Product OPENEYE NAME: 3-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-(3-pyridylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-(3-pyridinylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: 3-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-(pyridin-3-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-(pyridin-3-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C23H15Cl2F3N4O3
MOLECULAR WEIGHT: 523.29141
SMILES: C1=CC(=CC(=C1)C(F)(F)F)CN(CC2=CN=CC=C2)C(=O)C3=NC(=C4C=C(C(=O)C(=C4)Cl)Cl)NO3
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Product OPENEYE NAME: 3-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-phenacyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-phenacyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: 3-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-phenacyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-phenacyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C25H16Cl2F3N3O4
MOLECULAR WEIGHT: 550.31345
SMILES: C1=CC=C(C=C1)C(=O)CN(CC2=CC(=CC=C2)C(F)(F)F)C(=O)C3=NC(=C4C=C(C(=O)C(=C4)Cl)Cl)NO3
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Product OPENEYE NAME: 3-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-(3,3-dimethyl-2-oxo-butyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-(3,3-dimethyl-2-oxobutyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: 3-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-(3,3-dimethyl-2-oxobutyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-(3,3-dimethyl-2-oxidanylidene-butyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C23H20Cl2F3N3O4
MOLECULAR WEIGHT: 530.32381
SMILES: CC(C)(C)C(=O)CN(CC1=CC(=CC=C1)C(F)(F)F)C(=O)C2=NC(=C3C=C(C(=O)C(=C3)Cl)Cl)NO2
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Product OPENEYE NAME: 5-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-[(2,3-difluorophenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
CAS Name: 5-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-[(2,3-difluorophenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
IUPAC NAME: 5-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-[(2,3-difluorophenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
SYSTEMATIC NAME: 5-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[[2,3-bis(fluoranyl)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
MOLECULAR FORMULA: C16H9Cl2F2N3O3
MOLECULAR WEIGHT: 400.163766
SMILES: C1=CC(=C(C(=C1)F)F)CNC(=O)C2=NC(=C3C=C(C(=O)C(=C3)Cl)Cl)ON2
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Product OPENEYE NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodo-anilino)-N-[(2R)-2-hydroxypropyl]benzamide
CAS Name: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)-N-[(2R)-2-hydroxypropyl]benzamide
IUPAC NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)-N-[(2R)-2-hydroxypropyl]benzamide
SYSTEMATIC NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoranyl-6-[(2-fluoranyl-4-iodanyl-phenyl)amino]-N-[(2R)-2-oxidanylpropyl]benzamide
MOLECULAR FORMULA: C24H25F2IN4O5S
MOLECULAR WEIGHT: 646.445376
SMILES: C[C@H](CNC(=O)C1=C(C=C(C=C1NC2=C(C=C(C=C2)I)F)F)OC3=CC=CC(=C3)NS(=O)(=O)N(C)C)O
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Product OPENEYE NAME: 4-fluoro-2-(2-fluoro-4-iodo-anilino)-6-[3-(sulfamoylmethyl)phenoxy]benzamide
CAS Name: 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[3-(sulfamoylmethyl)phenoxy]benzamide
IUPAC NAME: 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[3-(sulfamoylmethyl)phenoxy]benzamide
SYSTEMATIC NAME: 4-fluoranyl-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]-6-[3-(sulfamoylmethyl)phenoxy]benzamide
MOLECULAR FORMULA: C20H16F2IN3O4S
MOLECULAR WEIGHT: 559.325016
SMILES: C1=CC(=CC(=C1)OC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C(=O)N)CS(=O)(=O)N
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Product OPENEYE NAME: 4-fluoro-2-(2-fluoro-4-iodo-anilino)-6-[3-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzamide
CAS Name: 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[3-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzamide
IUPAC NAME: 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[3-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzamide
SYSTEMATIC NAME: 4-fluoranyl-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]-6-[3-[1,1,2,2,2-pentakis(fluoranyl)ethyl]phenoxy]benzamide
MOLECULAR FORMULA: C21H12F7IN2O2
MOLECULAR WEIGHT: 584.225472
SMILES: C1=CC(=CC(=C1)OC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C(=O)N)C(C(F)(F)F)(F)F
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Product OPENEYE NAME: 2-[3-(cyclohexylsulfamoyl)phenoxy]-4-fluoro-6-(2-fluoro-4-iodo-anilino)benzamide
CAS Name: 2-[3-(cyclohexylsulfamoyl)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)benzamide
IUPAC NAME: 2-[3-(cyclohexylsulfamoyl)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)benzamide
SYSTEMATIC NAME: 2-[3-(cyclohexylsulfamoyl)phenoxy]-4-fluoranyl-6-[(2-fluoranyl-4-iodanyl-phenyl)amino]benzamide
MOLECULAR FORMULA: C25H24F2IN3O4S
MOLECULAR WEIGHT: 627.442036
SMILES: C1CCC(CC1)NS(=O)(=O)C2=CC=CC(=C2)OC3=C(C(=CC(=C3)F)NC4=C(C=C(C=C4)I)F)C(=O)N
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All Chemical Compounds Information




Product OPENEYE NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]-dideuterio-methyl]-3,4,4-trideuterio-oxazolidin-2-one
CAS Name: 5-[[3,5-bis(trideuteriomethyl)phenoxy]-dideuteriomethyl]-3,4,4-trideuterio-2-oxazolidinone
IUPAC NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]-dideuteriomethyl]-3,4,4-trideuterio-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]-dideuterio-methyl]-3,4,4-trideuterio-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 232.32018
SMILES: [2H]C1(C(OC(=O)N1[2H])C([2H])([2H])OC2=CC(=CC(=C2)C([2H])([2H])[2H])C([2H])([2H])[2H])[2H]
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Product OPENEYE NAME: 3,4,4-trideuterio-5-[dideuterio-(2,4,6-trideuterio-3,5-dimethyl-phenoxy)methyl]oxazolidin-2-one
CAS Name: 3,4,4-trideuterio-5-[dideuterio-(2,4,6-trideuterio-3,5-dimethylphenoxy)methyl]-2-oxazolidinone
IUPAC NAME: 3,4,4-trideuterio-5-[dideuterio-(2,4,6-trideuterio-3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3,4,4-trideuterio-5-[dideuterio-(2,4,6-trideuterio-3,5-dimethyl-phenoxy)methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 229.301694
SMILES: [2H]C1=C(C(=C(C(=C1C)[2H])OC([2H])([2H])C2C(N(C(=O)O2)[2H])([2H])[2H])[2H])C
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Product OPENEYE NAME: 3,4,4-trideuterio-5-[dideuterio-[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]oxazolidin-2-one
CAS Name: 3,4,4-trideuterio-5-[dideuterio-[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-2-oxazolidinone
IUPAC NAME: 3,4,4-trideuterio-5-[dideuterio-[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3,4,4-trideuterio-5-[dideuterio-[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 235.338665
SMILES: [2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])[2H])OC([2H])([2H])C2C(N(C(=O)O2)[2H])([2H])[2H])[2H])C([2H])([2H])[2H]
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Product OPENEYE NAME: 3,4,4,5-tetradeuterio-5-[(3,5-dimethylphenoxy)methyl]oxazolidin-2-one
CAS Name: 3,4,4,5-tetradeuterio-5-[(3,5-dimethylphenoxy)methyl]-2-oxazolidinone
IUPAC NAME: 3,4,4,5-tetradeuterio-5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3,4,4,5-tetradeuterio-5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 225.277047
SMILES: [2H]C1(C(OC(=O)N1[2H])([2H])COC2=CC(=CC(=C2)C)C)[2H]
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Product OPENEYE NAME: 2,6-dichloro-4-[3-[[4-[[4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dichloro-4-[3-[[4-[[4-(2,4-dichlorophenyl)-1-piperazinyl]methyl]phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dichloro-4-[3-[[4-[[4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-[3-[[4-[[4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C27H23Cl4N5O2
MOLECULAR WEIGHT: 591.31582
SMILES: C1CN(CCN1CC2=CC=C(C=C2)COC3=NNC(=C4C=C(C(=O)C(=C4)Cl)Cl)C=N3)C5=C(C=C(C=C5)Cl)Cl
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Product OPENEYE NAME: isopropyl (2S)-2-[[(2R)-2-amino-3-methyl-butanoyl]amino]-3-[[(5S)-5-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]propanoate
CAS Name: (2S)-2-[[(2R)-2-amino-3-methyl-1-oxobutyl]amino]-3-[[(5S)-5-[(4-amino-2-oxo-1-pyrimidinyl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphorinan-2-yl]oxy]propanoic acid propan-2-yl ester
IUPAC NAME: propan-2-yl (2S)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]propanoate
SYSTEMATIC NAME: propan-2-yl (2S)-2-[[(2R)-2-azanyl-3-methyl-butanoyl]amino]-3-[[(5S)-5-[(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)methyl]-2-oxidanylidene-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]propanoate
MOLECULAR FORMULA: C19H32N5O8P
MOLECULAR WEIGHT: 489.459841
SMILES: CC(C)[C@H](C(=O)N[C@@H](COP1(=O)CO[C@H](CO1)CN2C=CC(=NC2=O)N)C(=O)OC(C)C)N
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Product OPENEYE NAME: isopropyl (2S)-2-[(2-amino-3-methyl-butanoyl)amino]-3-[[(5S)-5-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]propanoate
CAS Name: (2S)-2-[(2-amino-3-methyl-1-oxobutyl)amino]-3-[[(5S)-5-[(4-amino-2-oxo-1-pyrimidinyl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphorinan-2-yl]oxy]propanoic acid propan-2-yl ester
IUPAC NAME: propan-2-yl (2S)-2-[(2-amino-3-methylbutanoyl)amino]-3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]propanoate
SYSTEMATIC NAME: propan-2-yl (2S)-2-[(2-azanyl-3-methyl-butanoyl)amino]-3-[[(5S)-5-[(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)methyl]-2-oxidanylidene-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]propanoate
MOLECULAR FORMULA: C19H32N5O8P
MOLECULAR WEIGHT: 489.459841
SMILES: CC(C)C(C(=O)N[C@@H](COP1(=O)CO[C@H](CO1)CN2C=CC(=NC2=O)N)C(=O)OC(C)C)N
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Product OPENEYE NAME: [(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-isopropoxy-3-oxo-propoxy]-[[(1S)-1-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methyl]phosphinic acid
CAS Name: [(2S)-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-3-oxo-3-propan-2-yloxypropoxy]-[[(2S)-1-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxypropan-2-yl]oxymethyl]phosphinic acid
IUPAC NAME: [(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-oxo-3-propan-2-yloxypropoxy]-[[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl]phosphinic acid
SYSTEMATIC NAME: [(2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-3-oxidanylidene-3-propan-2-yloxy-propoxy]-[[(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl]phosphinic acid
MOLECULAR FORMULA: C19H34N5O9P
MOLECULAR WEIGHT: 507.475121
SMILES: CC(C)[C@@H](C(=O)N[C@@H](COP(=O)(CO[C@@H](CN1C=CC(=NC1=O)N)CO)O)C(=O)OC(C)C)N
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Product OPENEYE NAME: isopropyl (2S,3R)-2-amino-3-[[(5S)-5-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]butanoate
CAS Name: (2S,3R)-2-amino-3-[[(5S)-5-[(4-amino-2-oxo-1-pyrimidinyl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphorinan-2-yl]oxy]butanoic acid propan-2-yl ester
IUPAC NAME: propan-2-yl (2S,3R)-2-amino-3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]butanoate
SYSTEMATIC NAME: propan-2-yl (2S,3R)-2-azanyl-3-[[(5S)-5-[(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)methyl]-2-oxidanylidene-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]butanoate
MOLECULAR FORMULA: C15H25N4O7P
MOLECULAR WEIGHT: 404.355361
SMILES: C[C@H]([C@@H](C(=O)OC(C)C)N)OP1(=O)CO[C@H](CO1)CN2C=CC(=NC2=O)N
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Product OPENEYE NAME: methyl (2S,3R)-2-amino-3-[[(5S)-5-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]butanoate
CAS Name: (2S,3R)-2-amino-3-[[(5S)-5-[(4-amino-2-oxo-1-pyrimidinyl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphorinan-2-yl]oxy]butanoic acid methyl ester
IUPAC NAME: methyl (2S,3R)-2-amino-3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]butanoate
SYSTEMATIC NAME: methyl (2S,3R)-2-azanyl-3-[[(5S)-5-[(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)methyl]-2-oxidanylidene-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]butanoate
MOLECULAR FORMULA: C13H21N4O7P
MOLECULAR WEIGHT: 376.302201
SMILES: C[C@H]([C@@H](C(=O)OC)N)OP1(=O)CO[C@H](CO1)CN2C=CC(=NC2=O)N
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Product OPENEYE NAME: S-[2-[[(2R,3R,4R,5S)-5-[2-amino-4-(methylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate
CAS Name: 2,2-dimethylpropanethioic acid S-[2-[[(2R,3R,4R,5S)-5-[2-amino-4-(methylamino)-7-imidazo[2,1-f][1,2,4]triazinyl]-3,4-dihydroxy-4-methyl-2-oxolanyl]methoxy-[2-[(2,2-dimethyl-1-oxopropyl)thio]ethoxy]phosphoryl]oxyethyl] ester
IUPAC NAME: S-[2-[[(2R,3R,4R,5S)-5-[2-amino-4-(methylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate
SYSTEMATIC NAME: S-[2-[[(2R,3R,4R,5S)-5-[2-azanyl-4-(methylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methyl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate
MOLECULAR FORMULA: C26H43N6O9PS2
MOLECULAR WEIGHT: 678.758181
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1C2=CN=C3N2N=C(N=C3NC)N)COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O)O
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Product OPENEYE NAME: methyl (2S)-2-[[[(2R,3R,4R,5S)-5-(2-amino-4-oxo-1H-imidazo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate
CAS Name: (2S)-2-[[[(2R,3R,4R,5S)-5-(2-amino-4-oxo-1H-imidazo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-4-methyl-2-oxolanyl]methoxy-phenoxyphosphoryl]amino]propanoic acid methyl ester
IUPAC NAME: methyl (2S)-2-[[[(2R,3R,4R,5S)-5-(2-amino-4-oxo-1H-imidazo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
SYSTEMATIC NAME: methyl (2S)-2-[[[(2R,3R,4R,5S)-5-(2-azanyl-4-oxidanylidene-1H-imidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate
MOLECULAR FORMULA: C21H27N6O9P
MOLECULAR WEIGHT: 538.447641
SMILES: C[C@@H](C(=O)OC)NP(=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)C2=CN=C3N2NC(=NC3=O)N)(C)O)O)OC4=CC=CC=C4
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Product OPENEYE NAME: isopropyl (2S)-2-[[[(2R,3R,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoate
CAS Name: (2S)-2-[[[(2R,3R,4R,5S)-5-(4-amino-7-imidazo[2,1-f][1,2,4]triazinyl)-3,4-dihydroxy-4-methyl-2-oxolanyl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoic acid propan-2-yl ester
IUPAC NAME: propan-2-yl (2S)-2-[[[(2R,3R,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoate
SYSTEMATIC NAME: propan-2-yl (2S)-2-[[[(2R,3R,4R,5S)-5-(4-azanylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(4-chloranylphenoxy)phosphoryl]amino]propanoate
MOLECULAR FORMULA: C23H30ClN6O8P
MOLECULAR WEIGHT: 584.946461
SMILES: C[C@@H](C(=O)OC(C)C)NP(=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)C2=CN=C3N2N=CN=C3N)(C)O)O)OC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: (2S,3R,4R,5R)-2-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3-methyl-5-[[(4S)-2-oxo-4-(4-pyridyl)-1,3,2$l^{5}-dioxaphosphinan-2-yl]oxymethyl]tetrahydrofuran-3,4-diol
CAS Name: (2S,3R,4R,5R)-2-(4-amino-7-imidazo[2,1-f][1,2,4]triazinyl)-3-methyl-5-[[(4S)-2-oxo-4-pyridin-4-yl-1,3,2$l^{5}-dioxaphosphorinan-2-yl]oxymethyl]oxolane-3,4-diol
IUPAC NAME: (2S,3R,4R,5R)-2-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3-methyl-5-[[(4S)-2-oxo-4-pyridin-4-yl-1,3,2$l^{5}-dioxaphosphinan-2-yl]oxymethyl]oxolane-3,4-diol
SYSTEMATIC NAME: (2S,3R,4R,5R)-2-(4-azanylimidazo[2,1-f][1,2,4]triazin-7-yl)-3-methyl-5-[[(4S)-2-oxidanylidene-4-pyridin-4-yl-1,3,2$l^{5}-dioxaphosphinan-2-yl]oxymethyl]oxolane-3,4-diol
MOLECULAR FORMULA: C19H23N6O7P
MOLECULAR WEIGHT: 478.395681
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1C2=CN=C3N2N=CN=C3N)COP4(=O)OCC[C@H](O4)C5=CC=NC=C5)O)O
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Product OPENEYE NAME: (3aS,4S,6R,6aR)-4-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3a-methyl-6-[[(4S)-2-oxo-4-(4-pyridyl)-1,3,2$l^{5}-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-2-one
CAS Name: (3aS,4S,6R,6aR)-4-(4-amino-7-imidazo[2,1-f][1,2,4]triazinyl)-3a-methyl-6-[[(4S)-2-oxo-4-pyridin-4-yl-1,3,2$l^{5}-dioxaphosphorinan-2-yl]oxymethyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-2-one
IUPAC NAME: (3aS,4S,6R,6aR)-4-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3a-methyl-6-[[(4S)-2-oxo-4-pyridin-4-yl-1,3,2$l^{5}-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-2-one
SYSTEMATIC NAME: (3aS,4S,6R,6aR)-4-(4-azanylimidazo[2,1-f][1,2,4]triazin-7-yl)-3a-methyl-6-[[(4S)-2-oxidanylidene-4-pyridin-4-yl-1,3,2$l^{5}-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-2-one
MOLECULAR FORMULA: C20H21N6O8P
MOLECULAR WEIGHT: 504.389901
SMILES: C[C@@]12[C@@H]([C@H](O[C@H]1C3=CN=C4N3N=CN=C4N)COP5(=O)OCC[C@H](O5)C6=CC=NC=C6)OC(=O)O2
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Product OPENEYE NAME: 5-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
CAS Name: 5-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
IUPAC NAME: 5-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
SYSTEMATIC NAME: 5-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
MOLECULAR FORMULA: C18H12Cl2F3N3O3
MOLECULAR WEIGHT: 446.20739
SMILES: CN(CC1=CC=C(C=C1)C(F)(F)F)C(=O)C2=NC(=C3C=C(C(=O)C(=C3)Cl)Cl)ON2
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All Chemical Compounds Information




Product OPENEYE NAME: 2-(4-cyclopropylsulfonylindazol-1-yl)-N-(5-fluorothiazol-2-yl)-3-tetrahydropyran-4-yl-propanamide
CAS Name: 2-(4-cyclopropylsulfonyl-1-indazolyl)-N-(5-fluoro-2-thiazolyl)-3-(4-oxanyl)propanamide
IUPAC NAME: 2-(4-cyclopropylsulfonylindazol-1-yl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
SYSTEMATIC NAME: 2-(4-cyclopropylsulfonylindazol-1-yl)-N-(5-fluoranyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
MOLECULAR FORMULA: C21H23FN4O4S2
MOLECULAR WEIGHT: 478.560123
SMILES: C1CC1S(=O)(=O)C2=CC=CC3=C2C=NN3C(CC4CCOCC4)C(=O)NC5=NC=C(S5)F
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Product OPENEYE NAME: (6aR,9R,10aR)-3-(1,1-dimethylheptyl)-6,6,9-trimethyl-6a,7,8,9,10,10a-hexahydro-4H-isochromeno[3,4-b]pyridin-1-one
CAS Name: (6aR,9R,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydro-4H-[2]benzopyrano[3,4-b]pyridin-1-one
IUPAC NAME: (6aR,9R,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydro-4H-isochromeno[3,4-b]pyridin-1-one
SYSTEMATIC NAME: (6aR,9R,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydro-4H-isochromeno[3,4-b]pyridin-1-one
MOLECULAR FORMULA: C24H39NO2
MOLECULAR WEIGHT: 373.57196
SMILES: CCCCCCC(C)(C)C1=CC(=O)C2=C(N1)OC([C@H]3[C@H]2C[C@@H](CC3)C)(C)C
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Product OPENEYE NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-[(4-nitrophenyl)methyl]tetrazol-2-yl]tetrahydropyran-3,4,5-triol
CAS Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-[(4-nitrophenyl)methyl]-2-tetrazolyl]oxane-3,4,5-triol
IUPAC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-[(4-nitrophenyl)methyl]tetrazol-2-yl]oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-[(4-nitrophenyl)methyl]-1,2,3,4-tetrazol-2-yl]oxane-3,4,5-triol
MOLECULAR FORMULA: C14H17N5O7
MOLECULAR WEIGHT: 367.31408
SMILES: C1=CC(=CC=C1CC2=NN(N=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[N+](=O)[O-]
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Product OPENEYE NAME: (2R,3R,4S,5S,6R)-2-[5-[[4-(dimethylamino)phenyl]methyl]tetrazol-2-yl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: (2R,3R,4S,5S,6R)-2-[5-[[4-(dimethylamino)phenyl]methyl]-2-tetrazolyl]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: (2R,3R,4S,5S,6R)-2-[5-[[4-(dimethylamino)phenyl]methyl]tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[5-[[4-(dimethylamino)phenyl]methyl]-1,2,3,4-tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C16H23N5O5
MOLECULAR WEIGHT: 365.38432
SMILES: CN(C)C1=CC=C(C=C1)CC2=NN(N=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
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Product OPENEYE NAME: (2R,3R,4S,5S,6R)-2-[5-[(2-chloro-4-ethoxy-phenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: (2R,3R,4S,5S,6R)-2-[5-[(2-chloro-4-ethoxyphenyl)methyl]-2-tetrazolyl]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: (2R,3R,4S,5S,6R)-2-[5-[(2-chloro-4-ethoxyphenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[5-[(2-chloranyl-4-ethoxy-phenyl)methyl]-1,2,3,4-tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C16H21ClN4O6
MOLECULAR WEIGHT: 400.81414
SMILES: CCOC1=CC(=C(C=C1)CC2=NN(N=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl
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Product OPENEYE NAME: (2R,3R,4S,5S,6R)-2-[5-[(4-ethyl-3-fluoro-phenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: (2R,3R,4S,5S,6R)-2-[5-[(4-ethyl-3-fluorophenyl)methyl]-2-tetrazolyl]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: (2R,3R,4S,5S,6R)-2-[5-[(4-ethyl-3-fluorophenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[5-[(4-ethyl-3-fluoranyl-phenyl)methyl]-1,2,3,4-tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C16H21FN4O5
MOLECULAR WEIGHT: 368.360143
SMILES: CCC1=C(C=C(C=C1)CC2=NN(N=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)F
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Product OPENEYE NAME: [(2R,3S,4S,5R,6R)-6-[5-[(4-ethoxyphenyl)methyl]tetrazol-2-yl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl methyl carbonate
CAS Name: carbonic acid [(2R,3S,4S,5R,6R)-6-[5-[(4-ethoxyphenyl)methyl]-2-tetrazolyl]-3,4,5-trihydroxy-2-oxanyl]methyl methyl ester
IUPAC NAME: [(2R,3S,4S,5R,6R)-6-[5-[(4-ethoxyphenyl)methyl]tetrazol-2-yl]-3,4,5-trihydroxyoxan-2-yl]methyl methyl carbonate
SYSTEMATIC NAME: [(2R,3S,4S,5R,6R)-6-[5-[(4-ethoxyphenyl)methyl]-1,2,3,4-tetrazol-2-yl]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl methyl carbonate
MOLECULAR FORMULA: C18H24N4O8
MOLECULAR WEIGHT: 424.40516
SMILES: CCOC1=CC=C(C=C1)CC2=NN(N=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)OC)O)O)O
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Product OPENEYE NAME: 3-(diaminomethylene)-1,1-dimethyl-guanidine; 5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl)methoxy]phenyl]methyl]thiazolidine-2,4-dione
CAS Name: 3-(diaminomethylidene)-1,1-dimethylguanidine; 5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)methoxy]phenyl]methyl]thiazolidine-2,4-dione
IUPAC NAME: 3-(diaminomethylidene)-1,1-dimethylguanidine; 5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SYSTEMATIC NAME: 3-[bis(azanyl)methylidene]-1,1-dimethyl-guanidine; 5-[[4-[(2,5,7,8-tetramethyl-6-oxidanyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
MOLECULAR FORMULA: C28H38N6O5S
MOLECULAR WEIGHT: 570.70352
SMILES: CC1=C(C(=C2CCC(OC2=C1C)(C)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4)C)O.CN(C)C(=N)N=C(N)N
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Product OPENEYE NAME: zinc; (3R,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol; (3Z)-3-imidazol-4-ylideneprop-1-ene-1,1-diolate
CAS Name: zinc; (3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (3Z)-3-(4-imidazolylidene)-1-propene-1,1-diolate
IUPAC NAME: zinc; (3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (3Z)-3-imidazol-4-ylideneprop-1-ene-1,1-diolate
SYSTEMATIC NAME: zinc; (3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (3Z)-3-imidazol-4-ylideneprop-1-ene-1,1-diolate
MOLECULAR FORMULA: C12H16N2O8Zn
MOLECULAR WEIGHT: 381.67304
SMILES: C\1=NC=N/C1=C\C=C([O-])[O-].C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O)O.[Zn+2]
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Product OPENEYE NAME: zinc; (3S,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol; (3Z)-3-imidazol-4-ylideneprop-1-ene-1,1-diolate
CAS Name: zinc; (3S,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (3Z)-3-(4-imidazolylidene)-1-propene-1,1-diolate
IUPAC NAME: zinc; (3S,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (3Z)-3-imidazol-4-ylideneprop-1-ene-1,1-diolate
SYSTEMATIC NAME: zinc; (3S,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (3Z)-3-imidazol-4-ylideneprop-1-ene-1,1-diolate
MOLECULAR FORMULA: C12H16N2O8Zn
MOLECULAR WEIGHT: 381.67304
SMILES: C\1=NC=N/C1=C\C=C([O-])[O-].C([C@@H]1[C@@H]([C@@H]([C@@H](C(O1)O)O)O)O)O.[Zn+2]
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Product OPENEYE NAME: (3R,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
CAS Name: (3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (E)-3-(1H-imidazol-5-yl)-2-propenoic acid; molybdenum
IUPAC NAME: (3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
SYSTEMATIC NAME: (3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
MOLECULAR FORMULA: C12H18MoN2O8
MOLECULAR WEIGHT: 414.21992
SMILES: C1=C(NC=N1)/C=C/C(=O)O.C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O)O.[Mo]
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Product OPENEYE NAME: (3R,4S,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
CAS Name: (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (E)-3-(1H-imidazol-5-yl)-2-propenoic acid; molybdenum
IUPAC NAME: (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
SYSTEMATIC NAME: (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
MOLECULAR FORMULA: C12H18MoN2O8
MOLECULAR WEIGHT: 414.21992
SMILES: C1=C(NC=N1)/C=C/C(=O)O.C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O.[Mo]
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Product OPENEYE NAME: 2-hydroxytetradecanoic acid; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
CAS Name: 2-hydroxytetradecanoic acid; (E)-3-(1H-imidazol-5-yl)-2-propenoic acid; molybdenum
IUPAC NAME: 2-hydroxytetradecanoic acid; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
SYSTEMATIC NAME: (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum; 2-oxidanyltetradecanoic acid
MOLECULAR FORMULA: C20H34MoN2O5
MOLECULAR WEIGHT: 478.43436
SMILES: CCCCCCCCCCCCC(C(=O)O)O.C1=C(NC=N1)/C=C/C(=O)O.[Mo]
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Product OPENEYE NAME: (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum; pyridine-2-carboxylic acid
CAS Name: (E)-3-(1H-imidazol-5-yl)-2-propenoic acid; molybdenum; 2-pyridinecarboxylic acid
IUPAC NAME: (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum; pyridine-2-carboxylic acid
SYSTEMATIC NAME: (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum; pyridine-2-carboxylic acid
MOLECULAR FORMULA: C12H11MoN3O4
MOLECULAR WEIGHT: 357.17344
SMILES: C1=CC=NC(=C1)C(=O)O.C1=C(NC=N1)/C=C/C(=O)O.[Mo]
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Product OPENEYE NAME: zinc; 2-hydroxydecanoate; (Z,4Z)-4-imidazol-4-ylidenebut-2-en-2-olate
CAS Name: zinc; 2-hydroxydecanoate; (Z,4Z)-4-(4-imidazolylidene)-2-buten-2-olate
IUPAC NAME: zinc; 2-hydroxydecanoate; (Z,4Z)-4-imidazol-4-ylidenebut-2-en-2-olate
SYSTEMATIC NAME: zinc; (Z,4Z)-4-imidazol-4-ylidenebut-2-en-2-olate; 2-oxidanyldecanoate
MOLECULAR FORMULA: C17H26N2O4Zn
MOLECULAR WEIGHT: 387.80834
SMILES: CCCCCCCCC(C(=O)[O-])O.C/C(=C/C=C\1/C=NC=N1)/[O-].[Zn+2]
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Product OPENEYE NAME: 4-(1H-imidazol-5-yl)but-3-en-2-one
CAS Name: 4-(1H-imidazol-5-yl)-3-buten-2-one
IUPAC NAME: 4-(1H-imidazol-5-yl)but-3-en-2-one
SYSTEMATIC NAME: 4-(1H-imidazol-5-yl)but-3-en-2-one
MOLECULAR FORMULA: C7H8N2O
MOLECULAR WEIGHT: 136.15122
SMILES: CC(=O)C=CC1=CN=CN1
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Product OPENEYE NAME: 3,4,4-trideuterio-5-[(2,4,6-trideuterio-3,5-dimethyl-phenoxy)methyl]oxazolidin-2-one
CAS Name: 3,4,4-trideuterio-5-[(2,4,6-trideuterio-3,5-dimethylphenoxy)methyl]-2-oxazolidinone
IUPAC NAME: 3,4,4-trideuterio-5-[(2,4,6-trideuterio-3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3,4,4-trideuterio-5-[(2,4,6-trideuterio-3,5-dimethyl-phenoxy)methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 227.289371
SMILES: [2H]C1=C(C(=C(C(=C1C)[2H])OCC2C(N(C(=O)O2)[2H])([2H])[2H])[2H])C
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Product OPENEYE NAME: 3,4,4-trideuterio-5-[[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]oxazolidin-2-one
CAS Name: 3,4,4-trideuterio-5-[[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-2-oxazolidinone
IUPAC NAME: 3,4,4-trideuterio-5-[[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3,4,4-trideuterio-5-[[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 233.326341
SMILES: [2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])[2H])OCC2C(N(C(=O)O2)[2H])([2H])[2H])[2H])C([2H])([2H])[2H]
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Product OPENEYE NAME: 3,4,4-trideuterio-5-[dideuterio-(3,5-dimethylphenoxy)methyl]oxazolidin-2-one
CAS Name: 3,4,4-trideuterio-5-[dideuterio-(3,5-dimethylphenoxy)methyl]-2-oxazolidinone
IUPAC NAME: 3,4,4-trideuterio-5-[dideuterio-(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3,4,4-trideuterio-5-[dideuterio-(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 226.283209
SMILES: [2H]C1(C(OC(=O)N1[2H])C([2H])([2H])OC2=CC(=CC(=C2)C)C)[2H]
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All Chemical Compounds Information




Product OPENEYE NAME: 1-(4-fluorophenyl)-N-[(6-methylsulfonyl-3-pyridyl)methyl]indazole-4-carboxamide
CAS Name: 1-(4-fluorophenyl)-N-[(6-methylsulfonyl-3-pyridinyl)methyl]-4-indazolecarboxamide
IUPAC NAME: 1-(4-fluorophenyl)-N-[(6-methylsulfonylpyridin-3-yl)methyl]indazole-4-carboxamide
SYSTEMATIC NAME: 1-(4-fluorophenyl)-N-[(6-methylsulfonylpyridin-3-yl)methyl]indazole-4-carboxamide
MOLECULAR FORMULA: C21H17FN4O3S
MOLECULAR WEIGHT: 424.448083
SMILES: CS(=O)(=O)C1=NC=C(C=C1)CNC(=O)C2=C3C=NN(C3=CC=C2)C4=CC=C(C=C4)F
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Product OPENEYE NAME: N-[[1-(2-amino-2-oxo-ethyl)-6-oxo-3-pyridyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CAS Name: N-[[1-(2-amino-2-oxoethyl)-6-oxo-3-pyridinyl]methyl]-1-(4-fluorophenyl)-4-indazolecarboxamide
IUPAC NAME: N-[[1-(2-amino-2-oxoethyl)-6-oxopyridin-3-yl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SYSTEMATIC NAME: N-[[1-(2-azanyl-2-oxidanylidene-ethyl)-6-oxidanylidene-pyridin-3-yl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
MOLECULAR FORMULA: C22H18FN5O3
MOLECULAR WEIGHT: 419.408423
SMILES: C1=CC(=C2C=NN(C2=C1)C3=CC=C(C=C3)F)C(=O)NCC4=CN(C(=O)C=C4)CC(=O)N
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Product OPENEYE NAME: N-[[2-chloro-4-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-N-methyl-indazole-4-carboxamide
CAS Name: N-[[2-chloro-4-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-N-methyl-4-indazolecarboxamide
IUPAC NAME: N-[[2-chloro-4-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-N-methylindazole-4-carboxamide
SYSTEMATIC NAME: N-[[2-chloranyl-4-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-N-methyl-indazole-4-carboxamide
MOLECULAR FORMULA: C24H22ClFN4O3S
MOLECULAR WEIGHT: 500.972883
SMILES: CN(C)S(=O)(=O)C1=CC(=C(C=C1)CN(C)C(=O)C2=C3C=NN(C3=CC=C2)C4=CC=C(C=C4)F)Cl
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Product OPENEYE NAME: 1-(4-fluorophenyl)-6-methylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]indazole-4-carboxamide
CAS Name: 1-(4-fluorophenyl)-6-methylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-4-indazolecarboxamide
IUPAC NAME: 1-(4-fluorophenyl)-6-methylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]indazole-4-carboxamide
SYSTEMATIC NAME: 1-(4-fluorophenyl)-6-methylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]indazole-4-carboxamide
MOLECULAR FORMULA: C25H24FN3O5S2
MOLECULAR WEIGHT: 529.603563
SMILES: CC[C@@H](C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2=CC(=CC3=C2C=NN3C4=CC=C(C=C4)F)S(=O)(=O)C
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Product OPENEYE NAME: (3R)-5'-[(E)-3-[(8R)-8-(3,5-difluorophenyl)-10-(2-fluoroethyl)-8-methyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-indane]-2-one
CAS Name: (2R)-5-[(E)-3-[(8R)-8-(3,5-difluorophenyl)-10-(2-fluoroethyl)-8-methyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]prop-1-enyl]-2'-spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]one
IUPAC NAME: (2R)-5-[(E)-3-[(8R)-8-(3,5-difluorophenyl)-10-(2-fluoroethyl)-8-methyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SYSTEMATIC NAME: (2R)-5-[(E)-3-[(8R)-8-[3,5-bis(fluoranyl)phenyl]-10-(2-fluoranylethyl)-8-methyl-6-oxidanylidene-7,10-diazaspiro[4.5]decan-7-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
MOLECULAR FORMULA: C35H35F3N4O2
MOLECULAR WEIGHT: 600.67321
SMILES: C[C@]1(CN(C2(CCCC2)C(=O)N1C/C=C/C3=CC4=C(C[C@@]5(C4)C6=C(NC5=O)N=CC=C6)C=C3)CCF)C7=CC(=CC(=C7)F)F
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Product OPENEYE NAME: (3R)-5'-[(E)-3-[(8R)-8-(3,5-difluorophenyl)-8-methyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-indane]-2-one
CAS Name: (2R)-5-[(E)-3-[(8R)-8-(3,5-difluorophenyl)-8-methyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]prop-1-enyl]-2'-spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]one
IUPAC NAME: (2R)-5-[(E)-3-[(8R)-8-(3,5-difluorophenyl)-8-methyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SYSTEMATIC NAME: (2R)-5-[(E)-3-[(8R)-8-[3,5-bis(fluoranyl)phenyl]-8-methyl-6-oxidanylidene-7,10-diazaspiro[4.5]decan-7-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
MOLECULAR FORMULA: C33H32F2N4O2
MOLECULAR WEIGHT: 554.629586
SMILES: C[C@]1(CNC2(CCCC2)C(=O)N1C/C=C/C3=CC4=C(C[C@@]5(C4)C6=C(NC5=O)N=CC=C6)C=C3)C7=CC(=CC(=C7)F)F
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Product OPENEYE NAME: (3R)-5'-[(E)-3-[(2R)-2-(3,5-difluorophenyl)-2,4,5,5-tetramethyl-6-oxo-piperazin-1-yl]prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-indane]-2-one
CAS Name: (2R)-5-[(E)-3-[(2R)-2-(3,5-difluorophenyl)-2,4,5,5-tetramethyl-6-oxo-1-piperazinyl]prop-1-enyl]-2'-spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]one
IUPAC NAME: (2R)-5-[(E)-3-[(2R)-2-(3,5-difluorophenyl)-2,4,5,5-tetramethyl-6-oxopiperazin-1-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SYSTEMATIC NAME: (2R)-5-[(E)-3-[(2R)-2-[3,5-bis(fluoranyl)phenyl]-2,4,5,5-tetramethyl-6-oxidanylidene-piperazin-1-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
MOLECULAR FORMULA: C32H32F2N4O2
MOLECULAR WEIGHT: 542.618886
SMILES: C[C@]1(CN(C(C(=O)N1C/C=C/C2=CC3=C(C[C@@]4(C3)C5=C(NC4=O)N=CC=C5)C=C2)(C)C)C)C6=CC(=CC(=C6)F)F
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Product OPENEYE NAME: (3R)-5'-[(E)-3-[(8R)-8-(3,5-difluorophenyl)-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-indane]-2-one
CAS Name: (2R)-5-[(E)-3-[(8R)-8-(3,5-difluorophenyl)-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]prop-1-enyl]-2'-spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]one
IUPAC NAME: (2R)-5-[(E)-3-[(8R)-8-(3,5-difluorophenyl)-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SYSTEMATIC NAME: (2R)-5-[(E)-3-[(8R)-8-[3,5-bis(fluoranyl)phenyl]-6-oxidanylidene-7,10-diazaspiro[4.5]decan-7-yl]prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
MOLECULAR FORMULA: C32H30F2N4O2
MOLECULAR WEIGHT: 540.603006
SMILES: C1CCC2(C1)C(=O)N([C@@H](CN2)C3=CC(=CC(=C3)F)F)C/C=C/C4=CC5=C(C[C@@]6(C5)C7=C(NC6=O)N=CC=C7)C=C4
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Product OPENEYE NAME: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxo-pentanoyl]amino]-4-oxo-butanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoyl]amino]-3-hydro
CAS Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[[(2S)-1-[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-1,4-dioxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxobutyl]amin
IUPAC NAME: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxyb
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-4-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidany
MOLECULAR FORMULA: C54H80N12O18
MOLECULAR WEIGHT: 1185.2826
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)N
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Product OPENEYE NAME: N-[2-[2-(4-methoxyphenyl)-3-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
CAS Name: N-[2-[2-(4-methoxyphenyl)-3-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]-4-pyrido[2,3-b]pyrazinyl]ethyl]acetamide
IUPAC NAME: N-[2-[2-(4-methoxyphenyl)-3-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
SYSTEMATIC NAME: N-[2-[2-(4-methoxyphenyl)-3-oxidanylidene-7-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]ethyl]ethanamide
MOLECULAR FORMULA: C26H24F3N5O3
MOLECULAR WEIGHT: 511.49567
SMILES: CC(=O)NCCN1C2=NC=C(C=C2N=C(C1=O)C3=CC=C(C=C3)OC)NCC4=CC(=CC=C4)C(F)(F)F
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Product OPENEYE NAME: N-[1-[(4-cyanophenyl)methyl]-4-piperidyl]-2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CAS Name: N-[1-[(4-cyanophenyl)methyl]-4-piperidinyl]-2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
IUPAC NAME: N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
SYSTEMATIC NAME: N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
MOLECULAR FORMULA: C30H31FN4O
MOLECULAR WEIGHT: 482.591743
SMILES: C1CN(CCC1NC(=O)C2=CC3=C(CCN(C3)CC4=CC=C(C=C4)F)C=C2)CC5=CC=C(C=C5)C#N
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Product OPENEYE NAME: 2-[(4-fluorophenyl)methyl]-N-[1-(3-pyridylmethyl)-4-piperidyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CAS Name: 2-[(4-fluorophenyl)methyl]-N-[1-(3-pyridinylmethyl)-4-piperidinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
IUPAC NAME: 2-[(4-fluorophenyl)methyl]-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
SYSTEMATIC NAME: 2-[(4-fluorophenyl)methyl]-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
MOLECULAR FORMULA: C28H31FN4O
MOLECULAR WEIGHT: 458.570343
SMILES: C1CN(CCC1NC(=O)C2=CC3=C(CCN(C3)CC4=CC=C(C=C4)F)C=C2)CC5=CN=CC=C5
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Product OPENEYE NAME: 2-[(4-fluorophenyl)methyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-4-piperidyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CAS Name: 2-[(4-fluorophenyl)methyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-4-piperidinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
IUPAC NAME: 2-[(4-fluorophenyl)methyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
SYSTEMATIC NAME: 2-[(4-fluorophenyl)methyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
MOLECULAR FORMULA: C30H31F4N3O
MOLECULAR WEIGHT: 525.580253
SMILES: C1CN(CCC1NC(=O)C2=CC3=C(CCN(C3)CC4=CC=C(C=C4)F)C=C2)CC5=CC=C(C=C5)C(F)(F)F
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Product OPENEYE NAME: 2-[(4-cyanophenyl)methyl]-N-[1-[(4-cyanophenyl)methyl]-4-piperidyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CAS Name: 2-[(4-cyanophenyl)methyl]-N-[1-[(4-cyanophenyl)methyl]-4-piperidinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
IUPAC NAME: 2-[(4-cyanophenyl)methyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
SYSTEMATIC NAME: 2-[(4-cyanophenyl)methyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
MOLECULAR FORMULA: C31H31N5O
MOLECULAR WEIGHT: 489.61074
SMILES: C1CN(CCC1NC(=O)C2=CC3=C(CCN(C3)CC4=CC=C(C=C4)C#N)C=C2)CC5=CC=C(C=C5)C#N
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Product OPENEYE NAME: 2-[(4-cyanophenyl)methyl]-N-[1-(3-pyridylmethyl)-4-piperidyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CAS Name: 2-[(4-cyanophenyl)methyl]-N-[1-(3-pyridinylmethyl)-4-piperidinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
IUPAC NAME: 2-[(4-cyanophenyl)methyl]-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
SYSTEMATIC NAME: 2-[(4-cyanophenyl)methyl]-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
MOLECULAR FORMULA: C29H31N5O
MOLECULAR WEIGHT: 465.58934
SMILES: C1CN(CCC1NC(=O)C2=CC3=C(CCN(C3)CC4=CC=C(C=C4)C#N)C=C2)CC5=CN=CC=C5
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Product OPENEYE NAME: isopropyl 4-[4-(4-methylsulfonylphenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CAS Name: 4-[4-(4-methylsulfonylphenoxy)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid propan-2-yl ester
IUPAC NAME: propan-2-yl 4-[4-(4-methylsulfonylphenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
SYSTEMATIC NAME: propan-2-yl 4-[4-(4-methylsulfonylphenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
MOLECULAR FORMULA: C21H25N5O5S
MOLECULAR WEIGHT: 459.5187
SMILES: CC(C)OC(=O)N1CCC(CC1)N2C3=C(C=N2)C(=NC=N3)OC4=CC=C(C=C4)S(=O)(=O)C
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Product OPENEYE NAME: 1-(cyclopropylmethyl)-3-[4-[4-[[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]methyl]piperazine-1-carbonyl]phenyl]urea
CAS Name: 1-(cyclopropylmethyl)-3-[4-[[4-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-1-piperazinyl]-oxomethyl]phenyl]urea
IUPAC NAME: 1-(cyclopropylmethyl)-3-[4-[4-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]piperazine-1-carbonyl]phenyl]urea
SYSTEMATIC NAME: 1-(cyclopropylmethyl)-3-[4-[4-[[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]methyl]piperazin-1-yl]carbonylphenyl]urea
MOLECULAR FORMULA: C26H28F6N4O3
MOLECULAR WEIGHT: 558.515939
SMILES: C1CC1CNC(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C(C(F)(F)F)(C(F)(F)F)O
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Product OPENEYE NAME: [4-[bis(2-chloroethyl)amino]phenyl] 2-[6-(2-hydroxyethoxy)-3-pyridyl]-1-(2-nitro-3-thienyl)ethanesulfonate
CAS Name: 2-[6-(2-hydroxyethoxy)-3-pyridinyl]-1-(2-nitro-3-thiophenyl)ethanesulfonic acid [4-[bis(2-chloroethyl)amino]phenyl] ester
IUPAC NAME: [4-[bis(2-chloroethyl)amino]phenyl] 2-[6-(2-hydroxyethoxy)pyridin-3-yl]-1-(2-nitrothiophen-3-yl)ethanesulfonate
SYSTEMATIC NAME: [4-[bis(2-chloroethyl)amino]phenyl] 2-[6-(2-hydroxyethyloxy)pyridin-3-yl]-1-(2-nitrothiophen-3-yl)ethanesulfonate
MOLECULAR FORMULA: C23H25Cl2N3O7S2
MOLECULAR WEIGHT: 590.4965
SMILES: C1=CC(=CC=C1N(CCCl)CCCl)OS(=O)(=O)C(CC2=CN=C(C=C2)OCCO)C3=C(SC=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[7-[(4-fluorophenyl)sulfonyl-methyl-amino]-6,7,8,9-tetrahydropyrido[2,3-b]indolizin-10-yl]acetic acid
CAS Name: 2-[7-[(4-fluorophenyl)sulfonyl-methylamino]-6,7,8,9-tetrahydropyrido[2,3-b]indolizin-10-yl]acetic acid
IUPAC NAME: 2-[7-[(4-fluorophenyl)sulfonyl-methylamino]-6,7,8,9-tetrahydropyrido[2,3-b]indolizin-10-yl]acetic acid
SYSTEMATIC NAME: 2-[7-[(4-fluorophenyl)sulfonyl-methyl-amino]-6,7,8,9-tetrahydropyrido[2,3-b]indolizin-10-yl]ethanoic acid
MOLECULAR FORMULA: C20H20FN3O4S
MOLECULAR WEIGHT: 417.453903
SMILES: CN(C1CCC2=C(C3=C(N2C1)C=CC=N3)CC(=O)O)S(=O)(=O)C4=CC=C(C=C4)F
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Product OPENEYE NAME: [2-[7-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl] acetate
CAS Name: acetic acid [2-[7-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrazinyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] ester
IUPAC NAME: [2-[7-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] acetate
SYSTEMATIC NAME: [2-[7-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl] ethanoate
MOLECULAR FORMULA: C21H23N7O3
MOLECULAR WEIGHT: 421.45242
SMILES: CC1=CC(=NN1)NC2=NC(=CN=C2)NC3=CC4=C(CCN(C4)C(=O)COC(=O)C)C=C3
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Product OPENEYE NAME: 2-(dimethylamino)-1-[7-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CAS Name: 2-(dimethylamino)-1-[7-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrazinyl]amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
IUPAC NAME: 2-(dimethylamino)-1-[7-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SYSTEMATIC NAME: 2-(dimethylamino)-1-[7-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
MOLECULAR FORMULA: C21H26N8O
MOLECULAR WEIGHT: 406.48414
SMILES: CC1=CC(=NN1)NC2=NC(=CN=C2)NC3=CC4=C(CCCN4C(=O)CN(C)C)C=C3
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Product OPENEYE NAME: methyl 6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]indoline-1-carboxylate
CAS Name: 6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrazinyl]amino]-2,3-dihydroindole-1-carboxylic acid methyl ester
IUPAC NAME: methyl 6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-2,3-dihydroindole-1-carboxylate
SYSTEMATIC NAME: methyl 6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-2,3-dihydroindole-1-carboxylate
MOLECULAR FORMULA: C18H19N7O2
MOLECULAR WEIGHT: 365.38916
SMILES: CC1=CC(=NN1)NC2=NC(=CN=C2)NC3=CC4=C(CCN4C(=O)OC)C=C3
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Product OPENEYE NAME:
CAS Name:
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MOLECULAR FORMULA: C32H35FN4O6S
MOLECULAR WEIGHT: 622.706903
SMILES: COC1=CC2=C(C=C1)N=C(S2)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC6=CC(=CC=C6)F)C(=O)O
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MOLECULAR FORMULA: C31H32BrFN4O5S
MOLECULAR WEIGHT: 671.576983
SMILES: C1CC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](CC1)NC4=CC(=CC=C4)F)OC5=NC6=C(S5)C=C(C=C6)Br)C(=O)O
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MOLECULAR FORMULA: C31H32F2N4O5S
MOLECULAR WEIGHT: 610.671386
SMILES: C1CC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](CC1)NC4=CC(=CC=C4)F)OC5=NC6=C(S5)C=C(C=C6)F)C(=O)O
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MOLECULAR FORMULA: C31H32ClFN4O5S
MOLECULAR WEIGHT: 627.125983
SMILES: C1CC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](CC1)NC4=CC(=CC=C4)F)OC5=NC6=C(S5)C=C(C=C6)Cl)C(=O)O
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C35H41N5O7S
MOLECULAR WEIGHT: 675.79434
SMILES: C1CC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](CC1)NCC4=CC=CC=C4)OC5=NC6=CC=CC=C6O5)C(=O)NS(=O)(=O)C7CC7
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C36H43N5O6S2
MOLECULAR WEIGHT: 705.88652
SMILES: CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)OC5=NC6=CC=CC=C6S5)NCC7=CC=CC=C7
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MOLECULAR FORMULA: C36H42BrN5O6S2
MOLECULAR WEIGHT: 784.78258
SMILES: CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)OC5=NC6=C(S5)C=C(C=C6)Br)NCC7=CC=CC=C7
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MOLECULAR FORMULA: C37H45N5O7S2
MOLECULAR WEIGHT: 735.9125
SMILES: CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)OC5=NC6=C(S5)C=C(C=C6)OC)NCC7=CC=CC=C7
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Product OPENEYE NAME: 1-(4-fluorophenyl)-N-[(4-iodophenyl)methyl]indazole-4-carboxamide
CAS Name: 1-(4-fluorophenyl)-N-[(4-iodophenyl)methyl]-4-indazolecarboxamide
IUPAC NAME: 1-(4-fluorophenyl)-N-[(4-iodophenyl)methyl]indazole-4-carboxamide
SYSTEMATIC NAME: 1-(4-fluorophenyl)-N-[(4-iodophenyl)methyl]indazole-4-carboxamide
MOLECULAR FORMULA: C21H15FIN3O
MOLECULAR WEIGHT: 471.266173
SMILES: C1=CC(=C2C=NN(C2=C1)C3=CC=C(C=C3)F)C(=O)NCC4=CC=C(C=C4)I
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Product OPENEYE NAME: 6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CAS Name: 6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]-4-indazolecarboxamide
IUPAC NAME: 6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
SYSTEMATIC NAME: 6-bromanyl-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
MOLECULAR FORMULA: C22H18BrFN4O3S
MOLECULAR WEIGHT: 517.370723
SMILES: CNS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=CC3=C2C=NN3C4=CC=C(C=C4)F)Br
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Product OPENEYE NAME: 1-(2-chlorophenyl)-4-[(1S,3R)-3-[3-(4-chlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
CAS Name: 1-(2-chlorophenyl)-4-[(1S,3R)-3-[3-(4-chlorophenyl)-1-pyrazolyl]cyclopentyl]piperazine
IUPAC NAME: 1-(2-chlorophenyl)-4-[(1S,3R)-3-[3-(4-chlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
SYSTEMATIC NAME: 1-(2-chlorophenyl)-4-[(1S,3R)-3-[3-(4-chlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
MOLECULAR FORMULA: C24H26Cl2N4
MOLECULAR WEIGHT: 441.39604
SMILES: C1C[C@H](C[C@H]1N2CCN(CC2)C3=CC=CC=C3Cl)N4C=CC(=N4)C5=CC=C(C=C5)Cl
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Product OPENEYE NAME: 1-[(1S,3S)-3-[3-(4-bromophenyl)pyrazol-1-yl]cyclopentyl]-4-(4-chlorophenyl)piperazine
CAS Name: 1-[(1S,3S)-3-[3-(4-bromophenyl)-1-pyrazolyl]cyclopentyl]-4-(4-chlorophenyl)piperazine
IUPAC NAME: 1-[(1S,3S)-3-[3-(4-bromophenyl)pyrazol-1-yl]cyclopentyl]-4-(4-chlorophenyl)piperazine
SYSTEMATIC NAME: 1-[(1S,3S)-3-[3-(4-bromophenyl)pyrazol-1-yl]cyclopentyl]-4-(4-chlorophenyl)piperazine
MOLECULAR FORMULA: C24H26BrClN4
MOLECULAR WEIGHT: 485.84704
SMILES: C1C[C@@H](C[C@H]1N2CCN(CC2)C3=CC=C(C=C3)Cl)N4C=CC(=N4)C5=CC=C(C=C5)Br
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Product OPENEYE NAME: 1-[(1S,3R)-3-[3-(4-bromophenyl)pyrazol-1-yl]cyclopentyl]-4-(4-chlorophenyl)piperazine
CAS Name: 1-[(1S,3R)-3-[3-(4-bromophenyl)-1-pyrazolyl]cyclopentyl]-4-(4-chlorophenyl)piperazine
IUPAC NAME: 1-[(1S,3R)-3-[3-(4-bromophenyl)pyrazol-1-yl]cyclopentyl]-4-(4-chlorophenyl)piperazine
SYSTEMATIC NAME: 1-[(1S,3R)-3-[3-(4-bromophenyl)pyrazol-1-yl]cyclopentyl]-4-(4-chlorophenyl)piperazine
MOLECULAR FORMULA: C24H26BrClN4
MOLECULAR WEIGHT: 485.84704
SMILES: C1C[C@H](C[C@H]1N2CCN(CC2)C3=CC=C(C=C3)Cl)N4C=CC(=N4)C5=CC=C(C=C5)Br
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Product OPENEYE NAME: N-(benzofuran-5-yl)-6-chloro-imidazo[2,1-b]thiazole-5-sulfonamide
CAS Name: N-(5-benzofuranyl)-6-chloro-5-imidazo[2,1-b]thiazolesulfonamide
IUPAC NAME: N-(1-benzofuran-5-yl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SYSTEMATIC NAME: N-(1-benzofuran-5-yl)-6-chloranyl-imidazo[2,1-b][1,3]thiazole-5-sulfonamide
MOLECULAR FORMULA: C13H8ClN3O3S2
MOLECULAR WEIGHT: 353.80392
SMILES: C1=CC2=C(C=CO2)C=C1NS(=O)(=O)C3=C(N=C4N3C=CS4)Cl
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Product OPENEYE NAME: 6-chloro-N-(3,4-dimethoxyphenyl)imidazo[2,1-b]thiazole-5-sulfonamide
CAS Name: 6-chloro-N-(3,4-dimethoxyphenyl)-5-imidazo[2,1-b]thiazolesulfonamide
IUPAC NAME: 6-chloro-N-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SYSTEMATIC NAME: 6-chloranyl-N-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
MOLECULAR FORMULA: C13H12ClN3O4S2
MOLECULAR WEIGHT: 373.83508
SMILES: COC1=C(C=C(C=C1)NS(=O)(=O)C2=C(N=C3N2C=CS3)Cl)OC
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Product OPENEYE NAME: 6-chloro-N-(3-oxo-1H-isobenzofuran-5-yl)imidazo[2,1-b]thiazole-5-sulfonamide
CAS Name: 6-chloro-N-(3-oxo-1H-isobenzofuran-5-yl)-5-imidazo[2,1-b]thiazolesulfonamide
IUPAC NAME: 6-chloro-N-(3-oxo-1H-2-benzofuran-5-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SYSTEMATIC NAME: 6-chloranyl-N-(3-oxidanylidene-1H-2-benzofuran-5-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
MOLECULAR FORMULA: C13H8ClN3O4S2
MOLECULAR WEIGHT: 369.80332
SMILES: C1C2=C(C=C(C=C2)NS(=O)(=O)C3=C(N=C4N3C=CS4)Cl)C(=O)O1
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Product OPENEYE NAME: 6-chloro-N-(3-chloro-4-methoxy-phenyl)imidazo[2,1-b]thiazole-5-sulfonamide
CAS Name: 6-chloro-N-(3-chloro-4-methoxyphenyl)-5-imidazo[2,1-b]thiazolesulfonamide
IUPAC NAME: 6-chloro-N-(3-chloro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SYSTEMATIC NAME: 6-chloranyl-N-(3-chloranyl-4-methoxy-phenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
MOLECULAR FORMULA: C12H9Cl2N3O3S2
MOLECULAR WEIGHT: 378.25416
SMILES: COC1=C(C=C(C=C1)NS(=O)(=O)C2=C(N=C3N2C=CS3)Cl)Cl
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Product OPENEYE NAME: 6-chloro-N-[3-[(dimethylamino)methyl]phenyl]imidazo[2,1-b]thiazole-5-sulfonamide hydrochloride
CAS Name: 6-chloro-N-[3-[(dimethylamino)methyl]phenyl]-5-imidazo[2,1-b]thiazolesulfonamide hydrochloride
IUPAC NAME: 6-chloro-N-[3-[(dimethylamino)methyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide hydrochloride
SYSTEMATIC NAME: 6-chloranyl-N-[3-[(dimethylamino)methyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide hydrochloride
MOLECULAR FORMULA: C14H16Cl2N4O2S2
MOLECULAR WEIGHT: 407.33844
SMILES: CN(C)CC1=CC(=CC=C1)NS(=O)(=O)C2=C(N=C3N2C=CS3)Cl.Cl
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Product OPENEYE NAME: 6-chloro-N-[3-[(dimethylamino)methyl]phenyl]imidazo[2,1-b]thiazole-5-sulfonamide
CAS Name: 6-chloro-N-[3-[(dimethylamino)methyl]phenyl]-5-imidazo[2,1-b]thiazolesulfonamide
IUPAC NAME: 6-chloro-N-[3-[(dimethylamino)methyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SYSTEMATIC NAME: 6-chloranyl-N-[3-[(dimethylamino)methyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
MOLECULAR FORMULA: C14H15ClN4O2S2
MOLECULAR WEIGHT: 370.8775
SMILES: CN(C)CC1=CC(=CC=C1)NS(=O)(=O)C2=C(N=C3N2C=CS3)Cl
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Product OPENEYE NAME: 6-chloro-N-(9-ethylcarbazol-3-yl)imidazo[2,1-b]thiazole-5-sulfonamide
CAS Name: 6-chloro-N-(9-ethyl-3-carbazolyl)-5-imidazo[2,1-b]thiazolesulfonamide
IUPAC NAME: 6-chloro-N-(9-ethylcarbazol-3-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SYSTEMATIC NAME: 6-chloranyl-N-(9-ethylcarbazol-3-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
MOLECULAR FORMULA: C19H15ClN4O2S2
MOLECULAR WEIGHT: 430.931
SMILES: CCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=C(N=C4N3C=CS4)Cl)C5=CC=CC=C51
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Product OPENEYE NAME: 6-chloro-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)imidazo[2,1-b]thiazole-5-sulfonamide
CAS Name: 6-chloro-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-imidazo[2,1-b]thiazolesulfonamide
IUPAC NAME: 6-chloro-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SYSTEMATIC NAME: 6-chloranyl-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
MOLECULAR FORMULA: C14H10ClN5O2S3
MOLECULAR WEIGHT: 411.9095
SMILES: C1CN2C3=C(C=CC(=C3)NS(=O)(=O)C4=C(N=C5N4C=CS5)Cl)SC2=N1
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Product OPENEYE NAME: methyl 7-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CAS Name: 7-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrazinyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid methyl ester
IUPAC NAME: methyl 7-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
SYSTEMATIC NAME: methyl 7-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
MOLECULAR FORMULA: C19H21N7O2
MOLECULAR WEIGHT: 379.41574
SMILES: CC1=CC(=NN1)NC2=NC(=CN=C2)NC3=CC4=C(CCN(C4)C(=O)OC)C=C3
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Product OPENEYE NAME: N-methyl-7-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
CAS Name: N-methyl-7-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrazinyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
IUPAC NAME: N-methyl-7-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
SYSTEMATIC NAME: N-methyl-7-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
MOLECULAR FORMULA: C19H22N8O
MOLECULAR WEIGHT: 378.43098
SMILES: CC1=CC(=NN1)NC2=NC(=CN=C2)NC3=CC4=C(CCCN4C(=O)NC)C=C3
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Product OPENEYE NAME: N6-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-N2-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
CAS Name: N6-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-N2-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
IUPAC NAME: 6-N-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
SYSTEMATIC NAME: N6-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-N2-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
MOLECULAR FORMULA: C19H23N7
MOLECULAR WEIGHT: 349.43282
SMILES: CCN1CCC2=C(C1)C=C(C=C2)NC3=CN=CC(=N3)NC4=NNC(=C4)C
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