Saturday, April 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: methyl (4R)-2-amino-5-oxo-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-c]chromene-3-carboxylate
CAS Name: (4R)-2-amino-5-oxo-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-c][1]benzopyran-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4R)-2-amino-5-oxo-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-c]chromene-3-carboxylate
SYSTEMATIC NAME: methyl (4R)-2-azanyl-5-oxidanylidene-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-c]chromene-3-carboxylate
MOLECULAR FORMULA: C21H14F3NO5
MOLECULAR WEIGHT: 417.33477
SMILES: COC(=O)C1=C(OC2=C([C@H]1C3=CC=C(C=C3)C(F)(F)F)C(=O)OC4=CC=CC=C42)N
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Product OPENEYE NAME: methyl (4S)-2-amino-5-oxo-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-c]chromene-3-carboxylate
CAS Name: (4S)-2-amino-5-oxo-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-c][1]benzopyran-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4S)-2-amino-5-oxo-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-c]chromene-3-carboxylate
SYSTEMATIC NAME: methyl (4S)-2-azanyl-5-oxidanylidene-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-c]chromene-3-carboxylate
MOLECULAR FORMULA: C21H14F3NO5
MOLECULAR WEIGHT: 417.33477
SMILES: COC(=O)C1=C(OC2=C([C@@H]1C3=CC=C(C=C3)C(F)(F)F)C(=O)OC4=CC=CC=C42)N
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Product OPENEYE NAME: 4-amino-5-(2,2-dimethylpropanoyl)-2-(2-fluoroanilino)thiophene-3-carbonitrile
CAS Name: 4-amino-5-(2,2-dimethyl-1-oxopropyl)-2-(2-fluoroanilino)-3-thiophenecarbonitrile
IUPAC NAME: 4-amino-5-(2,2-dimethylpropanoyl)-2-(2-fluoroanilino)thiophene-3-carbonitrile
SYSTEMATIC NAME: 4-azanyl-5-(2,2-dimethylpropanoyl)-2-[(2-fluorophenyl)amino]thiophene-3-carbonitrile
MOLECULAR FORMULA: C16H16FN3OS
MOLECULAR WEIGHT: 317.381143
SMILES: CC(C)(C)C(=O)C1=C(C(=C(S1)NC2=CC=CC=C2F)C#N)N
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Product OPENEYE NAME: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile
CAS Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile
IUPAC NAME: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
SYSTEMATIC NAME: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile
MOLECULAR FORMULA: C21H23N3O3S
MOLECULAR WEIGHT: 397.49062
SMILES: CC1=CC(=NC(=C1C#N)SCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)C
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Product OPENEYE NAME: (4R)-2-amino-1'-[(3-methoxyphenyl)methyl]-2',5-dioxo-spiro[7,8-dihydro-6H-chromene-4,3'-indoline]-3-carbonitrile
CAS Name: (4R)-2-amino-1'-[(3-methoxyphenyl)methyl]-2',5-dioxo-3-spiro[7,8-dihydro-6H-1-benzopyran-4,3'-indole]carbonitrile
IUPAC NAME: (4R)-2-amino-1'-[(3-methoxyphenyl)methyl]-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile
SYSTEMATIC NAME: (4R)-2-azanyl-1'-[(3-methoxyphenyl)methyl]-2',5-bis(oxidanylidene)spiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile
MOLECULAR FORMULA: C25H21N3O4
MOLECULAR WEIGHT: 427.45194
SMILES: COC1=CC=CC(=C1)CN2C3=CC=CC=C3[C@@]4(C2=O)C(=C(OC5=C4C(=O)CCC5)N)C#N
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Product OPENEYE NAME: (4S)-2-amino-1'-[(3-methoxyphenyl)methyl]-2',5-dioxo-spiro[7,8-dihydro-6H-chromene-4,3'-indoline]-3-carbonitrile
CAS Name: (4S)-2-amino-1'-[(3-methoxyphenyl)methyl]-2',5-dioxo-3-spiro[7,8-dihydro-6H-1-benzopyran-4,3'-indole]carbonitrile
IUPAC NAME: (4S)-2-amino-1'-[(3-methoxyphenyl)methyl]-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile
SYSTEMATIC NAME: (4S)-2-azanyl-1'-[(3-methoxyphenyl)methyl]-2',5-bis(oxidanylidene)spiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile
MOLECULAR FORMULA: C25H21N3O4
MOLECULAR WEIGHT: 427.45194
SMILES: COC1=CC=CC(=C1)CN2C3=CC=CC=C3[C@]4(C2=O)C(=C(OC5=C4C(=O)CCC5)N)C#N
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Product OPENEYE NAME: 6-amino-4'-phenyl-3-(trifluoromethyl)spiro[2H-pyrano[2,3-c]pyrazole-4,1'-cyclohexane]-5-carbonitrile
CAS Name: 6-amino-4'-phenyl-3-(trifluoromethyl)-5-spiro[2H-pyrano[2,3-c]pyrazole-4,1'-cyclohexane]carbonitrile
IUPAC NAME: 6-amino-4'-phenyl-3-(trifluoromethyl)spiro[2H-pyrano[2,3-c]pyrazole-4,1'-cyclohexane]-5-carbonitrile
SYSTEMATIC NAME: 6-azanyl-4'-phenyl-3-(trifluoromethyl)spiro[2H-pyrano[2,3-c]pyrazole-4,1'-cyclohexane]-5-carbonitrile
MOLECULAR FORMULA: C19H17F3N4O
MOLECULAR WEIGHT: 374.35969
SMILES: C1CC2(CCC1C3=CC=CC=C3)C(=C(OC4=NNC(=C24)C(F)(F)F)N)C#N
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Product OPENEYE NAME: benzyl (4S)-6-amino-5-cyano-4-(3-furyl)-2-methyl-4H-pyran-3-carboxylate
CAS Name: (4S)-6-amino-5-cyano-4-(3-furanyl)-2-methyl-4H-pyran-3-carboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl (4S)-6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate
SYSTEMATIC NAME: (phenylmethyl) (4S)-6-azanyl-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C19H16N2O4
MOLECULAR WEIGHT: 336.34134
SMILES: CC1=C([C@H](C(=C(O1)N)C#N)C2=COC=C2)C(=O)OCC3=CC=CC=C3
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Product OPENEYE NAME: benzyl (4R)-6-amino-5-cyano-4-(3-furyl)-2-methyl-4H-pyran-3-carboxylate
CAS Name: (4R)-6-amino-5-cyano-4-(3-furanyl)-2-methyl-4H-pyran-3-carboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl (4R)-6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate
SYSTEMATIC NAME: (phenylmethyl) (4R)-6-azanyl-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C19H16N2O4
MOLECULAR WEIGHT: 336.34134
SMILES: CC1=C([C@@H](C(=C(O1)N)C#N)C2=COC=C2)C(=O)OCC3=CC=CC=C3
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Product OPENEYE NAME: 4-amino-2-[3-(trifluoromethyl)anilino]thiazole-5-carbonitrile
CAS Name: 4-amino-2-[3-(trifluoromethyl)anilino]-5-thiazolecarbonitrile
IUPAC NAME: 4-amino-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-5-carbonitrile
SYSTEMATIC NAME: 4-azanyl-2-[[3-(trifluoromethyl)phenyl]amino]-1,3-thiazole-5-carbonitrile
MOLECULAR FORMULA: C11H7F3N4S
MOLECULAR WEIGHT: 284.26029
SMILES: C1=CC(=CC(=C1)NC2=NC(=C(S2)C#N)N)C(F)(F)F
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Product OPENEYE NAME: methyl (4R)-2-amino-4-(2,4-difluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
CAS Name: (4R)-2-amino-4-(2,4-difluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4R)-2-amino-4-(2,4-difluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
SYSTEMATIC NAME: methyl (4R)-2-azanyl-4-[2,4-bis(fluoranyl)phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H19F2NO4
MOLECULAR WEIGHT: 363.355266
SMILES: CC1(CC2=C([C@H](C(=C(O2)N)C(=O)OC)C3=C(C=C(C=C3)F)F)C(=O)C1)C
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Product OPENEYE NAME: methyl (4S)-2-amino-4-(2,4-difluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
CAS Name: (4S)-2-amino-4-(2,4-difluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4S)-2-amino-4-(2,4-difluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
SYSTEMATIC NAME: methyl (4S)-2-azanyl-4-[2,4-bis(fluoranyl)phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H19F2NO4
MOLECULAR WEIGHT: 363.355266
SMILES: CC1(CC2=C([C@@H](C(=C(O2)N)C(=O)OC)C3=C(C=C(C=C3)F)F)C(=O)C1)C
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Product OPENEYE NAME: (4R)-6-amino-4-(2,4-difluorophenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CAS Name: (4R)-6-amino-4-(2,4-difluorophenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC NAME: (4R)-6-amino-4-(2,4-difluorophenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SYSTEMATIC NAME: (4R)-6-azanyl-4-[2,4-bis(fluoranyl)phenyl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
MOLECULAR FORMULA: C15H12F2N4O
MOLECULAR WEIGHT: 302.278786
SMILES: CCC1=C2[C@@H](C(=C(OC2=NN1)N)C#N)C3=C(C=C(C=C3)F)F
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Product OPENEYE NAME: (4S)-6-amino-4-(2,4-difluorophenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CAS Name: (4S)-6-amino-4-(2,4-difluorophenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC NAME: (4S)-6-amino-4-(2,4-difluorophenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SYSTEMATIC NAME: (4S)-6-azanyl-4-[2,4-bis(fluoranyl)phenyl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
MOLECULAR FORMULA: C15H12F2N4O
MOLECULAR WEIGHT: 302.278786
SMILES: CCC1=C2[C@H](C(=C(OC2=NN1)N)C#N)C3=C(C=C(C=C3)F)F
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Product OPENEYE NAME: ethyl (4S)-2-amino-4-(2,4-difluorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
CAS Name: (4S)-2-amino-4-(2,4-difluorophenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4S)-2-amino-4-(2,4-difluorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
SYSTEMATIC NAME: ethyl (4S)-2-azanyl-4-[2,4-bis(fluoranyl)phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate
MOLECULAR FORMULA: C18H17F2NO4
MOLECULAR WEIGHT: 349.328686
SMILES: CCOC(=O)C1=C(OC2=C([C@@H]1C3=C(C=C(C=C3)F)F)C(=O)CCC2)N
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Product OPENEYE NAME: (4R)-6-amino-3-tert-butyl-4-(2,4-dichlorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CAS Name: (4R)-6-amino-3-tert-butyl-4-(2,4-dichlorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC NAME: (4R)-6-amino-3-tert-butyl-4-(2,4-dichlorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SYSTEMATIC NAME: (4R)-6-azanyl-3-tert-butyl-4-(2,4-dichlorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
MOLECULAR FORMULA: C17H16Cl2N4O
MOLECULAR WEIGHT: 363.24114
SMILES: CC(C)(C)C1=C2[C@@H](C(=C(OC2=NN1)N)C#N)C3=C(C=C(C=C3)Cl)Cl
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