Wednesday, May 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-N,2-diethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N,2-diethyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N,2-diethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-N,2-diethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C23H26N4O4S
MOLECULAR WEIGHT: 454.54194
SMILES: CCC1=NC(=C2C(=C(SC2=N1)C(=O)N(CC)CC(=O)NC3=CC4=C(C=C3)OCCO4)C)C
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Product OPENEYE NAME: 2-ethyl-4,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: 2-ethyl-4,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: 2-ethyl-4,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: 2-ethyl-4,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C19H18F3N3OS
MOLECULAR WEIGHT: 393.42593
SMILES: CCC1=NC(=C2C(=C(SC2=N1)C(=O)NCC3=CC(=CC=C3)C(F)(F)F)C)C
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Product OPENEYE NAME: (2-cyanophenyl)methyl 5-(trifluoromethyl)pyridine-2-carboxylate
CAS Name: 5-(trifluoromethyl)-2-pyridinecarboxylic acid (2-cyanophenyl)methyl ester
IUPAC NAME: (2-cyanophenyl)methyl 5-(trifluoromethyl)pyridine-2-carboxylate
SYSTEMATIC NAME: (2-cyanophenyl)methyl 5-(trifluoromethyl)pyridine-2-carboxylate
MOLECULAR FORMULA: C15H9F3N2O2
MOLECULAR WEIGHT: 306.23937
SMILES: C1=CC=C(C(=C1)COC(=O)C2=NC=C(C=C2)C(F)(F)F)C#N
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Product OPENEYE NAME: (4,6-diamino-1,3,5-triazin-2-yl)methyl 5-(trifluoromethyl)pyridine-2-carboxylate
CAS Name: 5-(trifluoromethyl)-2-pyridinecarboxylic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester
IUPAC NAME: (4,6-diamino-1,3,5-triazin-2-yl)methyl 5-(trifluoromethyl)pyridine-2-carboxylate
SYSTEMATIC NAME: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 5-(trifluoromethyl)pyridine-2-carboxylate
MOLECULAR FORMULA: C11H9F3N6O2
MOLECULAR WEIGHT: 314.22337
SMILES: C1=CC(=NC=C1C(F)(F)F)C(=O)OCC2=NC(=NC(=N2)N)N
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Product OPENEYE NAME: ethyl (4R)-4-methyl-2-oxo-6-[[5-(trifluoromethyl)pyridine-2-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CAS Name: (4R)-4-methyl-2-oxo-6-[[oxo-[5-(trifluoromethyl)-2-pyridinyl]methoxy]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4R)-4-methyl-2-oxo-6-[[5-(trifluoromethyl)pyridine-2-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl (4R)-4-methyl-2-oxidanylidene-6-[[5-(trifluoromethyl)pyridin-2-yl]carbonyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C16H16F3N3O5
MOLECULAR WEIGHT: 387.31055
SMILES: CCOC(=O)C1=C(NC(=O)N[C@@H]1C)COC(=O)C2=NC=C(C=C2)C(F)(F)F
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Product OPENEYE NAME: ethyl (4S)-4-methyl-2-oxo-6-[[5-(trifluoromethyl)pyridine-2-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CAS Name: (4S)-4-methyl-2-oxo-6-[[oxo-[5-(trifluoromethyl)-2-pyridinyl]methoxy]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4S)-4-methyl-2-oxo-6-[[5-(trifluoromethyl)pyridine-2-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl (4S)-4-methyl-2-oxidanylidene-6-[[5-(trifluoromethyl)pyridin-2-yl]carbonyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C16H16F3N3O5
MOLECULAR WEIGHT: 387.31055
SMILES: CCOC(=O)C1=C(NC(=O)N[C@H]1C)COC(=O)C2=NC=C(C=C2)C(F)(F)F
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 5-(trifluoromethyl)pyridine-2-carboxylate
CAS Name: 5-(trifluoromethyl)-2-pyridinecarboxylic acid [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(trifluoromethyl)pyridine-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(trifluoromethyl)pyridine-2-carboxylate
MOLECULAR FORMULA: C15H13F3N2O3S
MOLECULAR WEIGHT: 358.33553
SMILES: C[C@H](C(=O)NCC1=CC=CS1)OC(=O)C2=NC=C(C=C2)C(F)(F)F
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 5-(trifluoromethyl)pyridine-2-carboxylate
CAS Name: 5-(trifluoromethyl)-2-pyridinecarboxylic acid [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(trifluoromethyl)pyridine-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(trifluoromethyl)pyridine-2-carboxylate
MOLECULAR FORMULA: C15H13F3N2O3S
MOLECULAR WEIGHT: 358.33553
SMILES: C[C@@H](C(=O)NCC1=CC=CS1)OC(=O)C2=NC=C(C=C2)C(F)(F)F
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Product OPENEYE NAME: 2-(4-sulfamoylphenoxy)ethyl 5-(trifluoromethyl)pyridine-2-carboxylate
CAS Name: 5-(trifluoromethyl)-2-pyridinecarboxylic acid 2-(4-sulfamoylphenoxy)ethyl ester
IUPAC NAME: 2-(4-sulfamoylphenoxy)ethyl 5-(trifluoromethyl)pyridine-2-carboxylate
SYSTEMATIC NAME: 2-(4-sulfamoylphenoxy)ethyl 5-(trifluoromethyl)pyridine-2-carboxylate
MOLECULAR FORMULA: C15H13F3N2O5S
MOLECULAR WEIGHT: 390.33433
SMILES: C1=CC(=CC=C1OCCOC(=O)C2=NC=C(C=C2)C(F)(F)F)S(=O)(=O)N
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Product OPENEYE NAME: (4-cyano-2-fluoro-phenyl)methyl 5-(trifluoromethyl)pyridine-2-carboxylate
CAS Name: 5-(trifluoromethyl)-2-pyridinecarboxylic acid (4-cyano-2-fluorophenyl)methyl ester
IUPAC NAME: (4-cyano-2-fluorophenyl)methyl 5-(trifluoromethyl)pyridine-2-carboxylate
SYSTEMATIC NAME: (4-cyano-2-fluoranyl-phenyl)methyl 5-(trifluoromethyl)pyridine-2-carboxylate
MOLECULAR FORMULA: C15H8F4N2O2
MOLECULAR WEIGHT: 324.229833
SMILES: C1=CC(=C(C=C1C#N)F)COC(=O)C2=NC=C(C=C2)C(F)(F)F
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Product OPENEYE NAME: N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CAS Name: N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinecarboxamide
IUPAC NAME: N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SYSTEMATIC NAME: N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
MOLECULAR FORMULA: C14H11F3N2O3S
MOLECULAR WEIGHT: 344.30895
SMILES: CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=NC=C(C=C2)C(F)(F)F
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Product OPENEYE NAME: N-(2-cyanophenyl)-2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: N-(2-cyanophenyl)-2-ethyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: N-(2-cyanophenyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-(2-cyanophenyl)-2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C18H16N4OS
MOLECULAR WEIGHT: 336.41084
SMILES: CCC1=NC(=C2C(=C(SC2=N1)C(=O)NC3=CC=CC=C3C#N)C)C
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Product OPENEYE NAME: (2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CAS Name: (2-ethyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinyl)-[(2R)-2-(4-methoxyphenyl)-1-pyrrolidinyl]methanone
IUPAC NAME: (2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SYSTEMATIC NAME: (2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
MOLECULAR FORMULA: C22H25N3O2S
MOLECULAR WEIGHT: 395.5178
SMILES: CCC1=NC(=C2C(=C(SC2=N1)C(=O)N3CCC[C@@H]3C4=CC=C(C=C4)OC)C)C
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Product OPENEYE NAME: (2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CAS Name: (2-ethyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinyl)-[(2S)-2-(4-methoxyphenyl)-1-pyrrolidinyl]methanone
IUPAC NAME: (2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SYSTEMATIC NAME: (2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
MOLECULAR FORMULA: C22H25N3O2S
MOLECULAR WEIGHT: 395.5178
SMILES: CCC1=NC(=C2C(=C(SC2=N1)C(=O)N3CCC[C@H]3C4=CC=C(C=C4)OC)C)C
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