Thursday, May 16, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 6-methyl-N-(2-pyridyl)pyridine-3-carboxamide
CAS Name: 6-methyl-N-(2-pyridinyl)-3-pyridinecarboxamide
IUPAC NAME: 6-methyl-N-pyridin-2-ylpyridine-3-carboxamide
SYSTEMATIC NAME: 6-methyl-N-pyridin-2-yl-pyridine-3-carboxamide
MOLECULAR FORMULA: C12H11N3O
MOLECULAR WEIGHT: 213.23524
SMILES: CC1=NC=C(C=C1)C(=O)NC2=CC=CC=N2
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Product OPENEYE NAME: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-propanamide
CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-[(3R)-1,1-dioxo-3-thiolanyl]-N-methylpropanamide
IUPAC NAME: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
SYSTEMATIC NAME: N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-methyl-propanamide
MOLECULAR FORMULA: C16H18BrN3O4S
MOLECULAR WEIGHT: 428.30082
SMILES: CN([C@@H]1CCS(=O)(=O)C1)C(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br
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Product OPENEYE NAME: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-propanamide
CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-methylpropanamide
IUPAC NAME: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
SYSTEMATIC NAME: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-methyl-propanamide
MOLECULAR FORMULA: C16H18BrN3O4S
MOLECULAR WEIGHT: 428.30082
SMILES: CN([C@H]1CCS(=O)(=O)C1)C(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br
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Product OPENEYE NAME: ethyl 2-[3-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanoylamino]-5-ethyl-thiophene-3-carboxylate
CAS Name: 2-[[3-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-1-oxopropyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]-5-ethylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoylamino]-5-ethyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C20H23N3O4S2
MOLECULAR WEIGHT: 433.54432
SMILES: CCC1=CC(=C(S1)NC(=O)CCN2C=NC3=C(C2=O)C(=C(S3)C)C)C(=O)OCC
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Product OPENEYE NAME: [(1R)-1-[(5-methylisoxazol-3-yl)carbamoyl]pentyl] 2-methyl-5-methylsulfonyl-benzoate
CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [(2R)-1-[(5-methyl-3-isoxazolyl)amino]-1-oxohexan-2-yl] ester
IUPAC NAME: [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 2-methyl-5-methylsulfonylbenzoate
SYSTEMATIC NAME: [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-hexan-2-yl] 2-methyl-5-methylsulfonyl-benzoate
MOLECULAR FORMULA: C19H24N2O6S
MOLECULAR WEIGHT: 408.46866
SMILES: CCCC[C@H](C(=O)NC1=NOC(=C1)C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C
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Product OPENEYE NAME: [(1S)-1-[(5-methylisoxazol-3-yl)carbamoyl]pentyl] 2-methyl-5-methylsulfonyl-benzoate
CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [(2S)-1-[(5-methyl-3-isoxazolyl)amino]-1-oxohexan-2-yl] ester
IUPAC NAME: [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 2-methyl-5-methylsulfonylbenzoate
SYSTEMATIC NAME: [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-hexan-2-yl] 2-methyl-5-methylsulfonyl-benzoate
MOLECULAR FORMULA: C19H24N2O6S
MOLECULAR WEIGHT: 408.46866
SMILES: CCCC[C@@H](C(=O)NC1=NOC(=C1)C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C
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Product OPENEYE NAME: [3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-5-methylsulfonyl-benzoate
CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester
IUPAC NAME: [3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-5-methylsulfonylbenzoate
SYSTEMATIC NAME: [3-(3-fluoranyl-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-5-methylsulfonyl-benzoate
MOLECULAR FORMULA: C19H17FN2O5S
MOLECULAR WEIGHT: 404.412083
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=NC(=NO2)C3=CC(=C(C=C3)C)F
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Product OPENEYE NAME: [4-(2-cyanophenyl)phenyl]methyl 2-methoxy-5-sulfamoyl-benzoate
CAS Name: 2-methoxy-5-sulfamoylbenzoic acid [4-(2-cyanophenyl)phenyl]methyl ester
IUPAC NAME: [4-(2-cyanophenyl)phenyl]methyl 2-methoxy-5-sulfamoylbenzoate
SYSTEMATIC NAME: [4-(2-cyanophenyl)phenyl]methyl 2-methoxy-5-sulfamoyl-benzoate
MOLECULAR FORMULA: C22H18N2O5S
MOLECULAR WEIGHT: 422.45372
SMILES: COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N
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Product OPENEYE NAME: (1-cyanoindolizin-2-yl)methyl 4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate
CAS Name: 4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid (1-cyano-2-indolizinyl)methyl ester
IUPAC NAME: (1-cyanoindolizin-2-yl)methyl 4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate
SYSTEMATIC NAME: (1-cyanoindolizin-2-yl)methyl 4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate
MOLECULAR FORMULA: C21H18F3N3O4S
MOLECULAR WEIGHT: 465.44553
SMILES: C1=CC2=C(C(=CN2C=C1)COC(=O)CCCNS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C#N
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Product OPENEYE NAME: [3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(isopropylsulfamoyl)-4-methoxy-benzoate
CAS Name: 4-methoxy-3-(propan-2-ylsulfamoyl)benzoic acid [3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester
IUPAC NAME: [3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
SYSTEMATIC NAME: [3-(3-fluoranyl-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
MOLECULAR FORMULA: C21H22FN3O6S
MOLECULAR WEIGHT: 463.479283
SMILES: CC1=C(C=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)NC(C)C)F
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Product OPENEYE NAME: (1-cyanoindolizin-2-yl)methyl 4-(tert-butylsulfamoyl)benzoate
CAS Name: 4-(tert-butylsulfamoyl)benzoic acid (1-cyano-2-indolizinyl)methyl ester
IUPAC NAME: (1-cyanoindolizin-2-yl)methyl 4-(tert-butylsulfamoyl)benzoate
SYSTEMATIC NAME: (1-cyanoindolizin-2-yl)methyl 4-(tert-butylsulfamoyl)benzoate
MOLECULAR FORMULA: C21H21N3O4S
MOLECULAR WEIGHT: 411.47414
SMILES: CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N
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Product OPENEYE NAME: 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(2-furyl)ethyl]propanamide
CAS Name: 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(2-furanyl)ethyl]propanamide
IUPAC NAME: 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(furan-2-yl)ethyl]propanamide
SYSTEMATIC NAME: 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(furan-2-yl)ethyl]propanamide
MOLECULAR FORMULA: C19H21N3O3
MOLECULAR WEIGHT: 339.38834
SMILES: CCC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)N[C@@H](C)C3=CC=CO3
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Product OPENEYE NAME: 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(2-furyl)ethyl]propanamide
CAS Name: 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(2-furanyl)ethyl]propanamide
IUPAC NAME: 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
SYSTEMATIC NAME: 3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
MOLECULAR FORMULA: C19H21N3O3
MOLECULAR WEIGHT: 339.38834
SMILES: CCC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)N[C@H](C)C3=CC=CO3
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Product OPENEYE NAME: methyl 2-[(4-carbamoylphenoxy)methyl]furan-3-carboxylate
CAS Name: 2-[(4-carbamoylphenoxy)methyl]-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 2-[(4-carbamoylphenoxy)methyl]furan-3-carboxylate
SYSTEMATIC NAME: methyl 2-[(4-aminocarbonylphenoxy)methyl]furan-3-carboxylate
MOLECULAR FORMULA: C14H13NO5
MOLECULAR WEIGHT: 275.25672
SMILES: COC(=O)C1=C(OC=C1)COC2=CC=C(C=C2)C(=O)N
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Product OPENEYE NAME: (2R)-2-methyl-N-[4-(4-nitrophenyl)sulfonylphenyl]butanamide
CAS Name: (2R)-2-methyl-N-[4-(4-nitrophenyl)sulfonylphenyl]butanamide
IUPAC NAME: (2R)-2-methyl-N-[4-(4-nitrophenyl)sulfonylphenyl]butanamide
SYSTEMATIC NAME: (2R)-2-methyl-N-[4-(4-nitrophenyl)sulfonylphenyl]butanamide
MOLECULAR FORMULA: C17H18N2O5S
MOLECULAR WEIGHT: 362.40022
SMILES: CC[C@@H](C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: (2S)-2-methyl-N-[4-(4-nitrophenyl)sulfonylphenyl]butanamide
CAS Name: (2S)-2-methyl-N-[4-(4-nitrophenyl)sulfonylphenyl]butanamide
IUPAC NAME: (2S)-2-methyl-N-[4-(4-nitrophenyl)sulfonylphenyl]butanamide
SYSTEMATIC NAME: (2S)-2-methyl-N-[4-(4-nitrophenyl)sulfonylphenyl]butanamide
MOLECULAR FORMULA: C17H18N2O5S
MOLECULAR WEIGHT: 362.40022
SMILES: CC[C@H](C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
IUPAC NAME: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SYSTEMATIC NAME: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
MOLECULAR FORMULA: C22H22N4O2S
MOLECULAR WEIGHT: 406.50068
SMILES: CCC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NCCC3=NC4=CC=CC=C4S3
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Product OPENEYE NAME: N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-fluoro-2-methoxy-benzamide
CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-fluoro-2-methoxybenzamide
IUPAC NAME: N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-fluoro-2-methoxybenzamide
SYSTEMATIC NAME: N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-fluoranyl-2-methoxy-benzamide
MOLECULAR FORMULA: C17H15FN2O2S
MOLECULAR WEIGHT: 330.376603
SMILES: COC1=C(C=C(C=C1)F)C(=O)NCCC2=NC3=CC=CC=C3S2
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Product OPENEYE NAME: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-[4-(2-pyridyl)thiazol-2-yl]propanamide
CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-[4-(2-pyridinyl)-2-thiazolyl]propanamide
IUPAC NAME: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SYSTEMATIC NAME: 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
MOLECULAR FORMULA: C19H14BrN5O2S
MOLECULAR WEIGHT: 456.31576
SMILES: C1=CC=NC(=C1)C2=CSC(=N2)NC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br
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Product OPENEYE NAME: 2-[(2-chlorophenoxy)methyl]indolizine-1-carbonitrile
CAS Name: 2-[(2-chlorophenoxy)methyl]-1-indolizinecarbonitrile
IUPAC NAME: 2-[(2-chlorophenoxy)methyl]indolizine-1-carbonitrile
SYSTEMATIC NAME: 2-[(2-chloranylphenoxy)methyl]indolizine-1-carbonitrile
MOLECULAR FORMULA: C16H11ClN2O
MOLECULAR WEIGHT: 282.72434
SMILES: C1=CC=C(C(=C1)OCC2=CN3C=CC=CC3=C2C#N)Cl
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Product OPENEYE NAME: N-[2-(tert-butylamino)-2-oxo-ethyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]-3-pyrazolecarboxamide
IUPAC NAME: N-[2-(tert-butylamino)-2-oxoethyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SYSTEMATIC NAME: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
MOLECULAR FORMULA: C18H21F3N4O3
MOLECULAR WEIGHT: 398.37955
SMILES: CC(C)(C)NC(=O)CNC(=O)C1=NN(C=C1OC)C2=CC=CC(=C2)C(F)(F)F
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Product OPENEYE NAME: N-[2-(cyclopropylamino)-2-oxo-ethyl]-3-[[2-[(5S)-4-oxo-2-(1-piperidyl)thiazol-5-yl]acetyl]amino]benzamide
CAS Name: N-[2-(cyclopropylamino)-2-oxoethyl]-3-[[1-oxo-2-[(5S)-4-oxo-2-(1-piperidinyl)-5-thiazolyl]ethyl]amino]benzamide
IUPAC NAME: N-[2-(cyclopropylamino)-2-oxoethyl]-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
SYSTEMATIC NAME: N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-3-[2-[(5S)-4-oxidanylidene-2-piperidin-1-yl-1,3-thiazol-5-yl]ethanoylamino]benzamide
MOLECULAR FORMULA: C22H27N5O4S
MOLECULAR WEIGHT: 457.54588
SMILES: C1CCN(CC1)C2=NC(=O)[C@@H](S2)CC(=O)NC3=CC=CC(=C3)C(=O)NCC(=O)NC4CC4
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Product OPENEYE NAME: N-[2-(cyclopropylamino)-2-oxo-ethyl]-3-[[2-[(5R)-4-oxo-2-(1-piperidyl)thiazol-5-yl]acetyl]amino]benzamide
CAS Name: N-[2-(cyclopropylamino)-2-oxoethyl]-3-[[1-oxo-2-[(5R)-4-oxo-2-(1-piperidinyl)-5-thiazolyl]ethyl]amino]benzamide
IUPAC NAME: N-[2-(cyclopropylamino)-2-oxoethyl]-3-[[2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
SYSTEMATIC NAME: N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-3-[2-[(5R)-4-oxidanylidene-2-piperidin-1-yl-1,3-thiazol-5-yl]ethanoylamino]benzamide
MOLECULAR FORMULA: C22H27N5O4S
MOLECULAR WEIGHT: 457.54588
SMILES: C1CCN(CC1)C2=NC(=O)[C@H](S2)CC(=O)NC3=CC=CC(=C3)C(=O)NCC(=O)NC4CC4
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