Sunday, April 1, 2012

All Chemical Compounds Information




Product OPENEYE NAME: ethyl 1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
CAS Name: 1-(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-4-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
MOLECULAR FORMULA: C19H21N5O2
MOLECULAR WEIGHT: 351.40234
SMILES: CCOC(=O)C1CCN(CC1)C2=NC=NC3=C2C=NN3C4=CC=CC=C4
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Product OPENEYE NAME: ethyl 4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate
CAS Name: 4-(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate
MOLECULAR FORMULA: C18H20N6O2
MOLECULAR WEIGHT: 352.3904
SMILES: CCOC(=O)N1CCN(CC1)C2=NC=NC3=C2C=NN3C4=CC=CC=C4
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MOLECULAR FORMULA: C22H20N6O
MOLECULAR WEIGHT: 384.4338
SMILES: C1[C@H]2CN(C[C@@H]1C3=CC=CC(=O)N3C2)C4=NC=NC5=C4C=NN5C6=CC=CC=C6
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C22H19ClN6O
MOLECULAR WEIGHT: 418.87886
SMILES: C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C4=NC=NC5=C4C=NN5C6=CC=C(C=C6)Cl
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Product OPENEYE NAME: 1-(4-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CAS Name: 1-(4-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinamine
IUPAC NAME: 1-(4-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SYSTEMATIC NAME: 1-(4-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
MOLECULAR FORMULA: C20H18ClN5O3
MOLECULAR WEIGHT: 411.84162
SMILES: COC1=CC(=CC(=C1OC)OC)NC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]acetamide
IUPAC NAME: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SYSTEMATIC NAME: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamide
MOLECULAR FORMULA: C19H20N4O4S
MOLECULAR WEIGHT: 400.4515
SMILES: COC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=C(O2)C3=CC=NC=C3)OC
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Product OPENEYE NAME: (3S)-7-ethoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-a]benzimidazol-3-ol
CAS Name: (3S)-7-ethoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-a]benzimidazol-3-ol
IUPAC NAME: (3S)-7-ethoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-a]benzimidazol-3-ol
SYSTEMATIC NAME: (3S)-7-ethoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-a]benzimidazol-3-ol
MOLECULAR FORMULA: C12H14N2O2S
MOLECULAR WEIGHT: 250.31676
SMILES: CCOC1=CC2=C(C=C1)N=C3N2C[C@@H](CS3)O
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Product OPENEYE NAME: (3R)-7-ethoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-a]benzimidazol-3-ol
CAS Name: (3R)-7-ethoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-a]benzimidazol-3-ol
IUPAC NAME: (3R)-7-ethoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-a]benzimidazol-3-ol
SYSTEMATIC NAME: (3R)-7-ethoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-a]benzimidazol-3-ol
MOLECULAR FORMULA: C12H14N2O2S
MOLECULAR WEIGHT: 250.31676
SMILES: CCOC1=CC2=C(C=C1)N=C3N2C[C@H](CS3)O
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Product OPENEYE NAME: ethyl (4S)-4-(4-ethoxycarbonyloxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CAS Name: (4S)-4-(4-ethoxycarbonyloxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4S)-4-(4-ethoxycarbonyloxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl (4S)-4-(4-ethoxycarbonyloxy-3-methoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C18H22N2O6S
MOLECULAR WEIGHT: 394.44208
SMILES: CCOC(=O)C1=C(NC(=S)N[C@H]1C2=CC(=C(C=C2)OC(=O)OCC)OC)C
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Product OPENEYE NAME: ethyl (4R)-4-(4-ethoxycarbonyloxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CAS Name: (4R)-4-(4-ethoxycarbonyloxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4R)-4-(4-ethoxycarbonyloxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl (4R)-4-(4-ethoxycarbonyloxy-3-methoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C18H22N2O6S
MOLECULAR WEIGHT: 394.44208
SMILES: CCOC(=O)C1=C(NC(=S)N[C@@H]1C2=CC(=C(C=C2)OC(=O)OCC)OC)C
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Product OPENEYE NAME: 3-chloro-N-[3-(2-methylpropanoylamino)phenyl]benzothiophene-2-carboxamide
CAS Name: 3-chloro-N-[3-[(2-methyl-1-oxopropyl)amino]phenyl]-1-benzothiophene-2-carboxamide
IUPAC NAME: 3-chloro-N-[3-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide
SYSTEMATIC NAME: 3-chloranyl-N-[3-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide
MOLECULAR FORMULA: C19H17ClN2O2S
MOLECULAR WEIGHT: 372.86848
SMILES: CC(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl
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