Wednesday, December 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [2-(chroman-4-ylamino)-2-oxo-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid [2-(3,4-dihydro-2H-1-benzopyran-4-ylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
SYSTEMATIC NAME: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
MOLECULAR FORMULA: C19H17N5O4
MOLECULAR WEIGHT: 379.36938
SMILES: C1COC2=CC=CC=C2C1NC(=O)COC(=O)C3=C(N=CC=C3)N4C=NC=N4
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Product OPENEYE NAME: [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid [2-oxo-2-[[oxo-(2,2,2-trifluoroethylamino)methyl]amino]ethyl] ester
IUPAC NAME: [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylcarbamoylamino]ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
MOLECULAR FORMULA: C13H11F3N6O4
MOLECULAR WEIGHT: 372.25945
SMILES: C1=CC(=C(N=C1)N2C=NC=N2)C(=O)OCC(=O)NC(=O)NCC(F)(F)F
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Product OPENEYE NAME: [2-(4-hydroxyanilino)-2-oxo-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid [2-(4-hydroxyanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(4-hydroxyanilino)-2-oxoethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
SYSTEMATIC NAME: [2-[(4-hydroxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
MOLECULAR FORMULA: C16H13N5O4
MOLECULAR WEIGHT: 339.30552
SMILES: C1=CC(=C(N=C1)N2C=NC=N2)C(=O)OCC(=O)NC3=CC=C(C=C3)O
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Product OPENEYE NAME: [2-(5-chloro-2,4-dimethoxy-anilino)-2-oxo-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid [2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
SYSTEMATIC NAME: [2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
MOLECULAR FORMULA: C18H16ClN5O5
MOLECULAR WEIGHT: 417.80314
SMILES: COC1=CC(=C(C=C1NC(=O)COC(=O)C2=C(N=CC=C2)N3C=NC=N3)Cl)OC
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Product OPENEYE NAME: [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
SYSTEMATIC NAME: [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
MOLECULAR FORMULA: C20H19N5O4
MOLECULAR WEIGHT: 393.39596
SMILES: COC1=CC2=C(C=C1)N(CCC2)C(=O)COC(=O)C3=C(N=CC=C3)N4C=NC=N4
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Product OPENEYE NAME: [2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid [2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
SYSTEMATIC NAME: [2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
MOLECULAR FORMULA: C16H15N5O3
MOLECULAR WEIGHT: 325.322
SMILES: CC1=CC(=C(N1)C)C(=O)COC(=O)C2=C(N=CC=C2)N3C=NC=N3
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Product OPENEYE NAME: [2-(2-furyl)thiazol-4-yl]methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid [2-(2-furanyl)-4-thiazolyl]methyl ester
IUPAC NAME: [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
SYSTEMATIC NAME: [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
MOLECULAR FORMULA: C16H11N5O3S
MOLECULAR WEIGHT: 353.35524
SMILES: C1=CC(=C(N=C1)N2C=NC=N2)C(=O)OCC3=CSC(=N3)C4=CC=CO4
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Product OPENEYE NAME: [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl ester
IUPAC NAME: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
SYSTEMATIC NAME: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
MOLECULAR FORMULA: C18H14N6O3
MOLECULAR WEIGHT: 362.34216
SMILES: CC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)C3=C(N=CC=C3)N4C=NC=N4
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Product OPENEYE NAME: 2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-N,4,5-trimethyl-thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: 2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-N,4,5-trimethyl-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: 2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-[[2,4-bis(fluoranyl)phenyl]methyl]-2-cyclopropyl-N,4,5-trimethyl-thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C20H19F2N3OS
MOLECULAR WEIGHT: 387.446166
SMILES: CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)N(C)CC4=C(C=C(C=C4)F)F
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Product OPENEYE NAME: N-benzyl-N,2-dicyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: N,2-dicyclopropyl-4,5-dimethyl-N-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: N-benzyl-N,2-dicyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N,2-dicyclopropyl-4,5-dimethyl-N-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C22H23N3OS
MOLECULAR WEIGHT: 377.50252
SMILES: CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)N(CC4=CC=CC=C4)C5CC5
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Product OPENEYE NAME: N-allyl-2-[(4-benzamidobenzoyl)amino]benzamide
CAS Name: 2-[[(4-benzamidophenyl)-oxomethyl]amino]-N-prop-2-enylbenzamide
IUPAC NAME: 2-[(4-benzamidobenzoyl)amino]-N-prop-2-enylbenzamide
SYSTEMATIC NAME: 2-[(4-benzamidophenyl)carbonylamino]-N-prop-2-enyl-benzamide
MOLECULAR FORMULA: C24H21N3O3
MOLECULAR WEIGHT: 399.44184
SMILES: C=CCNC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-[2-(allylcarbamoyl)phenyl]-2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: 2-cyclopropyl-4,5-dimethyl-N-[2-[oxo-(prop-2-enylamino)methyl]phenyl]-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: 2-cyclopropyl-4,5-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: 2-cyclopropyl-4,5-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C22H22N4O2S
MOLECULAR WEIGHT: 406.50068
SMILES: CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)NC4=CC=CC=C4C(=O)NCC=C
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Product OPENEYE NAME: 3-[(4-acetylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CAS Name: 3-[(4-acetylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)cyclohexyl]propanamide
IUPAC NAME: 3-[(4-acetylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)cyclohexyl]propanamide
SYSTEMATIC NAME: 3-[(4-ethanoylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)cyclohexyl]propanamide
MOLECULAR FORMULA: C18H23F3N2O4S
MOLECULAR WEIGHT: 420.44643
SMILES: CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2CCC(CC2)C(F)(F)F
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Product OPENEYE NAME: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 7-chloro-3-methyl-benzofuran-2-carboxylate
CAS Name: 7-chloro-3-methyl-2-benzofurancarboxylic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester
IUPAC NAME: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 7-chloro-3-methyl-1-benzofuran-2-carboxylate
SYSTEMATIC NAME: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 7-chloranyl-3-methyl-1-benzofuran-2-carboxylate
MOLECULAR FORMULA: C23H18ClN3O4
MOLECULAR WEIGHT: 435.85972
SMILES: CC1=C(OC2=C1C=CC=C2Cl)C(=O)OCC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N
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Product OPENEYE NAME: 5-[1-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CAS Name: 5-[1-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
IUPAC NAME: 5-[1-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-[1-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
MOLECULAR FORMULA: C21H19F3N6O2S
MOLECULAR WEIGHT: 476.47477
SMILES: CC(C1=NC(=NO1)C2=CC(=CC=C2)C(F)(F)F)SC3=NN=C(N3CCOC)C4=CC=NC=C4
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Product OPENEYE NAME: (3-methoxyphenyl)methyl 3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate
CAS Name: 3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxylic acid (3-methoxyphenyl)methyl ester
IUPAC NAME: (3-methoxyphenyl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
SYSTEMATIC NAME: (3-methoxyphenyl)methyl 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate
MOLECULAR FORMULA: C18H18N2O3S
MOLECULAR WEIGHT: 342.41212
SMILES: CC1=CC(=NC2=C1C(=C(S2)C(=O)OCC3=CC(=CC=C3)OC)N)C
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Product OPENEYE NAME: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 3,4-dimethyl-5-sulfamoyl-benzoate
CAS Name: 3,4-dimethyl-5-sulfamoylbenzoic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester
IUPAC NAME: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 3,4-dimethyl-5-sulfamoylbenzoate
SYSTEMATIC NAME: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3,4-dimethyl-5-sulfamoyl-benzoate
MOLECULAR FORMULA: C22H22N4O5S
MOLECULAR WEIGHT: 454.49888
SMILES: CC1=C(C(=CC(=C1)C(=O)OCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N)S(=O)(=O)N)C
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Product OPENEYE NAME: [2-[2-(difluoromethoxy)-5-methyl-phenyl]-2-oxo-ethyl] 1-methylsulfonylindoline-5-carboxylate
CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] ester
IUPAC NAME: [2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
SYSTEMATIC NAME: [2-[2-[bis(fluoranyl)methoxy]-5-methyl-phenyl]-2-oxidanylidene-ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
MOLECULAR FORMULA: C20H19F2NO6S
MOLECULAR WEIGHT: 439.429766
SMILES: CC1=CC(=C(C=C1)OC(F)F)C(=O)COC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C
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