Friday, June 21, 2013

All Chemical Compounds Information



Product OPENEYE NAME: N-[3-[(3aS,6aS)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]-4-methoxy-phenyl]acetamide
CAS Name: N-[3-[(3aS,6aS)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]-4-methoxyphenyl]acetamide
IUPAC NAME: N-[3-[(3aS,6aS)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]-4-methoxyphenyl]acetamide
SYSTEMATIC NAME: N-[3-[(3aS,6aS)-2,5,5-tris(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]-4-methoxy-phenyl]ethanamide
MOLECULAR FORMULA: C15H18N2O5S
MOLECULAR WEIGHT: 338.37882
SMILES: CC(=O)NC1=CC(=C(C=C1)OC)N2[C@@H]3CS(=O)(=O)C[C@H]3CC2=O
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Product OPENEYE NAME: N-[3-[(3aS,6aR)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]-4-methoxy-phenyl]acetamide
CAS Name: N-[3-[(3aS,6aR)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]-4-methoxyphenyl]acetamide
IUPAC NAME: N-[3-[(3aS,6aR)-2,5,5-trioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]-4-methoxyphenyl]acetamide
SYSTEMATIC NAME: N-[3-[(3aS,6aR)-2,5,5-tris(oxidanylidene)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-1-yl]-4-methoxy-phenyl]ethanamide
MOLECULAR FORMULA: C15H18N2O5S
MOLECULAR WEIGHT: 338.37882
SMILES: CC(=O)NC1=CC(=C(C=C1)OC)N2[C@H]3CS(=O)(=O)C[C@H]3CC2=O
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Product OPENEYE NAME: 4-[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]-1,2,4-triazole-3-carboxamide
CAS Name: 4-[6-(4-chlorophenyl)-4-thieno[3,2-d]pyrimidinyl]-1,2,4-triazole-3-carboxamide
IUPAC NAME: 4-[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]-1,2,4-triazole-3-carboxamide
SYSTEMATIC NAME: 4-[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]-1,2,4-triazole-3-carboxamide
MOLECULAR FORMULA: C15H9ClN6OS
MOLECULAR WEIGHT: 356.78956
SMILES: C1=CC(=CC=C1C2=CC3=C(S2)C(=NC=N3)N4C=NN=C4C(=O)N)Cl
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Product OPENEYE NAME: cyclopentyl-[4-[(7R)-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone
CAS Name: cyclopentyl-[4-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone
IUPAC NAME: cyclopentyl-[4-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone
SYSTEMATIC NAME: cyclopentyl-[4-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone
MOLECULAR FORMULA: C22H30N4OS
MOLECULAR WEIGHT: 398.5648
SMILES: C[C@@H]1CCC2=C(C1)SC3=NC=NC(=C23)N4CCCN(CC4)C(=O)C5CCCC5
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Product OPENEYE NAME: cyclopentyl-[4-[(7S)-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone
CAS Name: cyclopentyl-[4-[(7S)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone
IUPAC NAME: cyclopentyl-[4-[(7S)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone
SYSTEMATIC NAME: cyclopentyl-[4-[(7S)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone
MOLECULAR FORMULA: C22H30N4OS
MOLECULAR WEIGHT: 398.5648
SMILES: C[C@H]1CCC2=C(C1)SC3=NC=NC(=C23)N4CCCN(CC4)C(=O)C5CCCC5
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Product OPENEYE NAME: cyclopentyl-[4-[4-[[(3R)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]-1,4-diazepan-1-yl]methanone
CAS Name: cyclopentyl-[4-[4-[[(3R)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-1,4-diazepan-1-yl]methanone
IUPAC NAME: cyclopentyl-[4-[4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]-1,4-diazepan-1-yl]methanone
SYSTEMATIC NAME: cyclopentyl-[4-[4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-1,4-diazepan-1-yl]methanone
MOLECULAR FORMULA: C23H34N4O5S
MOLECULAR WEIGHT: 478.60486
SMILES: C[C@@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)C4CCCC4)[N+](=O)[O-]
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Product OPENEYE NAME: cyclopentyl-[4-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]-1,4-diazepan-1-yl]methanone
CAS Name: cyclopentyl-[4-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-1,4-diazepan-1-yl]methanone
IUPAC NAME: cyclopentyl-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]-1,4-diazepan-1-yl]methanone
SYSTEMATIC NAME: cyclopentyl-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-1,4-diazepan-1-yl]methanone
MOLECULAR FORMULA: C23H34N4O5S
MOLECULAR WEIGHT: 478.60486
SMILES: C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)C4CCCC4)[N+](=O)[O-]
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Product OPENEYE NAME: [2-(2-hydroxyanilino)-2-oxo-ethyl] 4-(benzimidazol-1-yl)benzoate
CAS Name: 4-(1-benzimidazolyl)benzoic acid [2-(2-hydroxyanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-hydroxyanilino)-2-oxoethyl] 4-(benzimidazol-1-yl)benzoate
SYSTEMATIC NAME: [2-[(2-hydroxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(benzimidazol-1-yl)benzoate
MOLECULAR FORMULA: C22H17N3O4
MOLECULAR WEIGHT: 387.38808
SMILES: C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)C(=O)OCC(=O)NC4=CC=CC=C4O
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Product OPENEYE NAME: 6-chloro-2-[[1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridine
CAS Name: 6-chloro-2-[[1-[(6-chloro-2-imidazo[1,2-a]pyridinyl)methyl]-1-piperidin-1-iumyl]methyl]imidazo[1,2-a]pyridine
IUPAC NAME: 6-chloro-2-[[1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridine
SYSTEMATIC NAME: 6-chloranyl-2-[[1-[(6-chloranylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridine
MOLECULAR FORMULA: C21H22Cl2N5+
MOLECULAR WEIGHT: 415.33888
SMILES: C1CC[N+](CC1)(CC2=CN3C=C(C=CC3=N2)Cl)CC4=CN5C=C(C=CC5=N4)Cl
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