Tuesday, December 27, 2011

All Chemical Compounds Information




Product OPENEYE NAME: maleic acid; methyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-acetate
CAS Name: (Z)-2-butenedioic acid; (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetic acid methyl ester
IUPAC NAME: (Z)-but-2-enedioic acid; methyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetate
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; methyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-ethanoate
MOLECULAR FORMULA: C20H21NO6S
MOLECULAR WEIGHT: 403.44884
SMILES: COC(=O)[C@H](C1=CC=CC=C1)N2CCC3=C(C2)C=CS3.C(=C\C(=O)O)\C(=O)O
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Product OPENEYE NAME: ethyl 2-[(4Z)-4-[(4-fluorophenyl)-hydroxy-methylene]-2,3-dioxo-5-(p-tolyl)pyrrolidin-1-yl]-4-methyl-thiazole-5-carboxylate
CAS Name: 2-[(3Z)-3-[(4-fluorophenyl)-hydroxymethylidene]-2-(4-methylphenyl)-4,5-dioxo-1-pyrrolidinyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[(3Z)-3-[(4-fluorophenyl)-hydroxymethylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
SYSTEMATIC NAME: ethyl 2-[(3Z)-3-[(4-fluorophenyl)-oxidanyl-methylidene]-2-(4-methylphenyl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
MOLECULAR FORMULA: C25H21FN2O5S
MOLECULAR WEIGHT: 480.508043
SMILES: CCOC(=O)C1=C(N=C(S1)N2C(/C(=C(\C3=CC=C(C=C3)F)/O)/C(=O)C2=O)C4=CC=C(C=C4)C)C
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Product OPENEYE NAME: ethyl 2-[(4Z)-4-[hydroxy(phenyl)methylene]-2,3-dioxo-5-(p-tolyl)pyrrolidin-1-yl]-4-methyl-thiazole-5-carboxylate
CAS Name: 2-[(3Z)-3-[hydroxy(phenyl)methylidene]-2-(4-methylphenyl)-4,5-dioxo-1-pyrrolidinyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[(3Z)-3-[hydroxy(phenyl)methylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
SYSTEMATIC NAME: ethyl 4-methyl-2-[(3Z)-2-(4-methylphenyl)-4,5-bis(oxidanylidene)-3-[oxidanyl(phenyl)methylidene]pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
MOLECULAR FORMULA: C25H22N2O5S
MOLECULAR WEIGHT: 462.51758
SMILES: CCOC(=O)C1=C(N=C(S1)N2C(/C(=C(\C3=CC=CC=C3)/O)/C(=O)C2=O)C4=CC=C(C=C4)C)C
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Product OPENEYE NAME: (4Z)-4-[hydroxy-(4-methoxy-2-methyl-phenyl)methylene]-1-(2-morpholinoethyl)-5-(2-pyridyl)pyrrolidine-2,3-dione
CAS Name: (4Z)-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-1-[2-(4-morpholinyl)ethyl]-5-(2-pyridinyl)pyrrolidine-2,3-dione
IUPAC NAME: (4Z)-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
SYSTEMATIC NAME: (4Z)-4-[(4-methoxy-2-methyl-phenyl)-oxidanyl-methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-2-yl-pyrrolidine-2,3-dione
MOLECULAR FORMULA: C24H27N3O5
MOLECULAR WEIGHT: 437.48828
SMILES: CC1=C(C=CC(=C1)OC)/C(=C/2\C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=CC=N4)/O
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Product OPENEYE NAME: 1-[4-[2-[[6-[4-[2-(dimethylamino)ethoxy]phenyl]furo[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenyl-urea
CAS Name: 1-[4-[2-[[6-[4-[2-(dimethylamino)ethoxy]phenyl]-4-furo[2,3-d]pyrimidinyl]amino]ethyl]phenyl]-3-phenylurea
IUPAC NAME: 1-[4-[2-[[6-[4-[2-(dimethylamino)ethoxy]phenyl]furo[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea
SYSTEMATIC NAME: 1-[4-[2-[[6-[4-[2-(dimethylamino)ethoxy]phenyl]furo[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenyl-urea
MOLECULAR FORMULA: C31H32N6O3
MOLECULAR WEIGHT: 536.62418
SMILES: CN(C)CCOC1=CC=C(C=C1)C2=CC3=C(N=CN=C3O2)NCCC4=CC=C(C=C4)NC(=O)NC5=CC=CC=C5
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Product OPENEYE NAME: 1-[5-[2-[(5-chloro-6-phenyl-furo[2,3-d]pyrimidin-4-yl)amino]ethyl]thiazol-2-yl]-3-phenyl-urea
CAS Name: 1-[5-[2-[(5-chloro-6-phenyl-4-furo[2,3-d]pyrimidinyl)amino]ethyl]-2-thiazolyl]-3-phenylurea
IUPAC NAME: 1-[5-[2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea
SYSTEMATIC NAME: 1-[5-[2-[(5-chloranyl-6-phenyl-furo[2,3-d]pyrimidin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]-3-phenyl-urea
MOLECULAR FORMULA: C24H19ClN6O2S
MOLECULAR WEIGHT: 490.96466
SMILES: C1=CC=C(C=C1)C2=C(C3=C(N=CN=C3O2)NCCC4=CN=C(S4)NC(=O)NC5=CC=CC=C5)Cl
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Product OPENEYE NAME: 1-phenyl-3-[4-[2-[[6-(2-pyridyl)furo[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]urea
CAS Name: 1-phenyl-3-[4-[2-[[6-(2-pyridinyl)-4-furo[2,3-d]pyrimidinyl]amino]ethyl]phenyl]urea
IUPAC NAME: 1-phenyl-3-[4-[2-[(6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea
SYSTEMATIC NAME: 1-phenyl-3-[4-[2-[(6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea
MOLECULAR FORMULA: C26H22N6O2
MOLECULAR WEIGHT: 450.49188
SMILES: C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)CCNC3=C4C=C(OC4=NC=N3)C5=CC=CC=N5
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Product OPENEYE NAME: (2S)-N-[(3S,6S,10aS)-5-oxo-3-(4-phenylthiazol-2-yl)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-6-yl]-2-(methylamino)propanamide
CAS Name: (2S)-N-[(3S,6S,10aS)-5-oxo-3-(4-phenyl-2-thiazolyl)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-6-yl]-2-(methylamino)propanamide
IUPAC NAME: (2S)-N-[(3S,6S,10aS)-5-oxo-3-(4-phenyl-1,3-thiazol-2-yl)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-6-yl]-2-(methylamino)propanamide
SYSTEMATIC NAME: (2S)-N-[(3S,6S,10aS)-5-oxidanylidene-3-(4-phenyl-1,3-thiazol-2-yl)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-6-yl]-2-(methylamino)propanamide
MOLECULAR FORMULA: C23H30N4O2S
MOLECULAR WEIGHT: 426.5749
SMILES: C[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C3=NC(=CS3)C4=CC=CC=C4)NC
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Product OPENEYE NAME: (2S)-N-[(5S,8S,10aR)-3-(3-methylbutanoyl)-6-oxo-8-(4-phenylthiazol-2-yl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
CAS Name: (2S)-N-[(5S,8S,10aR)-3-(3-methyl-1-oxobutyl)-6-oxo-8-(4-phenyl-2-thiazolyl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
IUPAC NAME: (2S)-N-[(5S,8S,10aR)-3-(3-methylbutanoyl)-6-oxo-8-(4-phenyl-1,3-thiazol-2-yl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
SYSTEMATIC NAME: (2S)-N-[(5S,8S,10aR)-3-(3-methylbutanoyl)-6-oxidanylidene-8-(4-phenyl-1,3-thiazol-2-yl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
MOLECULAR FORMULA: C27H37N5O3S
MOLECULAR WEIGHT: 511.67938
SMILES: C[C@@H](C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C3=NC(=CS3)C4=CC=CC=C4)C(=O)CC(C)C)NC
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Product OPENEYE NAME: [(3R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]pyrrolidin-1-yl]-[2-(m-tolyl)phenyl]methanone
CAS Name: [(3R)-3-[(4,6-dimethoxy-2-pyrimidinyl)amino]-1-pyrrolidinyl]-[2-(3-methylphenyl)phenyl]methanone
IUPAC NAME: [(3R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]pyrrolidin-1-yl]-[2-(3-methylphenyl)phenyl]methanone
SYSTEMATIC NAME: [(3R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]pyrrolidin-1-yl]-[2-(3-methylphenyl)phenyl]methanone
MOLECULAR FORMULA: C24H26N4O3
MOLECULAR WEIGHT: 418.48824
SMILES: CC1=CC=CC(=C1)C2=CC=CC=C2C(=O)N3CC[C@H](C3)NC4=NC(=CC(=N4)OC)OC
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Product OPENEYE NAME: [2-(m-tolyl)phenyl]-[(3R)-3-(quinoxalin-2-ylamino)pyrrolidin-1-yl]methanone
CAS Name: [2-(3-methylphenyl)phenyl]-[(3R)-3-(2-quinoxalinylamino)-1-pyrrolidinyl]methanone
IUPAC NAME: [2-(3-methylphenyl)phenyl]-[(3R)-3-(quinoxalin-2-ylamino)pyrrolidin-1-yl]methanone
SYSTEMATIC NAME: [2-(3-methylphenyl)phenyl]-[(3R)-3-(quinoxalin-2-ylamino)pyrrolidin-1-yl]methanone
MOLECULAR FORMULA: C26H24N4O
MOLECULAR WEIGHT: 408.49496
SMILES: CC1=CC=CC(=C1)C2=CC=CC=C2C(=O)N3CC[C@H](C3)NC4=NC5=CC=CC=C5N=C4
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Product OPENEYE NAME: [2-(m-tolyl)phenyl]-[(3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methanone
CAS Name: [2-(3-methylphenyl)phenyl]-[(3R)-3-[[4-(trifluoromethyl)-2-pyrimidinyl]amino]-1-pyrrolidinyl]methanone
IUPAC NAME: [2-(3-methylphenyl)phenyl]-[(3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methanone
SYSTEMATIC NAME: [2-(3-methylphenyl)phenyl]-[(3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methanone
MOLECULAR FORMULA: C23H21F3N4O
MOLECULAR WEIGHT: 426.43425
SMILES: CC1=CC=CC(=C1)C2=CC=CC=C2C(=O)N3CC[C@H](C3)NC4=NC=CC(=N4)C(F)(F)F
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Product OPENEYE NAME: [(3R)-3-(1,3-benzothiazol-2-ylamino)pyrrolidin-1-yl]-[2-(m-tolyl)phenyl]methanone
CAS Name: [(3R)-3-(1,3-benzothiazol-2-ylamino)-1-pyrrolidinyl]-[2-(3-methylphenyl)phenyl]methanone
IUPAC NAME: [(3R)-3-(1,3-benzothiazol-2-ylamino)pyrrolidin-1-yl]-[2-(3-methylphenyl)phenyl]methanone
SYSTEMATIC NAME: [(3R)-3-(1,3-benzothiazol-2-ylamino)pyrrolidin-1-yl]-[2-(3-methylphenyl)phenyl]methanone
MOLECULAR FORMULA: C25H23N3OS
MOLECULAR WEIGHT: 413.53462
SMILES: CC1=CC=CC(=C1)C2=CC=CC=C2C(=O)N3CC[C@H](C3)NC4=NC5=CC=CC=C5S4
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Product OPENEYE NAME: [(3R)-3-(1H-benzimidazol-2-ylamino)pyrrolidin-1-yl]-[2-(m-tolyl)phenyl]methanone
CAS Name: [(3R)-3-(1H-benzimidazol-2-ylamino)-1-pyrrolidinyl]-[2-(3-methylphenyl)phenyl]methanone
IUPAC NAME: [(3R)-3-(1H-benzimidazol-2-ylamino)pyrrolidin-1-yl]-[2-(3-methylphenyl)phenyl]methanone
SYSTEMATIC NAME: [(3R)-3-(1H-benzimidazol-2-ylamino)pyrrolidin-1-yl]-[2-(3-methylphenyl)phenyl]methanone
MOLECULAR FORMULA: C25H24N4O
MOLECULAR WEIGHT: 396.48426
SMILES: CC1=CC=CC(=C1)C2=CC=CC=C2C(=O)N3CC[C@H](C3)NC4=NC5=CC=CC=C5N4
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Product OPENEYE NAME: 1-methyl-N-[(3R)-1-[2-(m-tolyl)benzoyl]pyrrolidin-3-yl]indole-3-carboxamide
CAS Name: 1-methyl-N-[(3R)-1-[[2-(3-methylphenyl)phenyl]-oxomethyl]-3-pyrrolidinyl]-3-indolecarboxamide
IUPAC NAME: 1-methyl-N-[(3R)-1-[2-(3-methylphenyl)benzoyl]pyrrolidin-3-yl]indole-3-carboxamide
SYSTEMATIC NAME: 1-methyl-N-[(3R)-1-[2-(3-methylphenyl)phenyl]carbonylpyrrolidin-3-yl]indole-3-carboxamide
MOLECULAR FORMULA: C28H27N3O2
MOLECULAR WEIGHT: 437.53288
SMILES: CC1=CC=CC(=C1)C2=CC=CC=C2C(=O)N3CC[C@H](C3)NC(=O)C4=CN(C5=CC=CC=C54)C
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Product OPENEYE NAME: 3,5-ditert-butyl-4-methoxy-N-[1-(3-morpholinopropylcarbamoyl)cyclohexyl]benzamide
CAS Name: 3,5-ditert-butyl-4-methoxy-N-[1-[[3-(4-morpholinyl)propylamino]-oxomethyl]cyclohexyl]benzamide
IUPAC NAME: 3,5-ditert-butyl-4-methoxy-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]benzamide
SYSTEMATIC NAME: 3,5-ditert-butyl-4-methoxy-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]benzamide
MOLECULAR FORMULA: C30H49N3O4
MOLECULAR WEIGHT: 515.72776
SMILES: CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)C(=O)NC2(CCCCC2)C(=O)NCCCN3CCOCC3
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Product OPENEYE NAME: 2,6-ditert-butyl-N-[1-[(4-methylsulfonylphenyl)methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide
CAS Name: 2,6-ditert-butyl-N-[1-[[(4-methylsulfonylphenyl)methylamino]-oxomethyl]cyclohexyl]-4-pyridinecarboxamide
IUPAC NAME: 2,6-ditert-butyl-N-[1-[(4-methylsulfonylphenyl)methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide
SYSTEMATIC NAME: 2,6-ditert-butyl-N-[1-[(4-methylsulfonylphenyl)methylcarbamoyl]cyclohexyl]pyridine-4-carboxamide
MOLECULAR FORMULA: C29H41N3O4S
MOLECULAR WEIGHT: 527.71854
SMILES: CC(C)(C)C1=CC(=CC(=N1)C(C)(C)C)C(=O)NC2(CCCCC2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C
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