Tuesday, February 26, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [2-[[(1R)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[[[(2R)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C18H20N2O6
MOLECULAR WEIGHT: 360.3612
SMILES: CC[C@@H](C)NC(=O)NC(=O)COC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)C
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Product OPENEYE NAME: N-(methylcarbamoyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(methylcarbamoyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(methylcarbamoyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(methylcarbamoyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C15H16N4O2S
MOLECULAR WEIGHT: 316.37814
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC(=O)NC
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Product OPENEYE NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium
CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium
IUPAC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium
SYSTEMATIC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium
MOLECULAR FORMULA: C20H27N2O3S+
MOLECULAR WEIGHT: 375.50498
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3)C
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Product OPENEYE NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
IUPAC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
SYSTEMATIC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
MOLECULAR FORMULA: C20H26N2O3S
MOLECULAR WEIGHT: 374.49704
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC3=CC=CC=C3)C
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Product OPENEYE NAME: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CAS Name: 2-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-phenyl-1,3,4-oxadiazole
IUPAC NAME: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C21H25N4O3S+
MOLECULAR WEIGHT: 413.5132
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NN=C(O3)C4=CC=CC=C4)C
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Product OPENEYE NAME: 1-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]pyrrolidin-2-one
CAS Name: 1-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]-2-pyrrolidinone
IUPAC NAME: 1-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]pyrrolidin-2-one
SYSTEMATIC NAME: 1-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]pyrrolidin-2-one
MOLECULAR FORMULA: C17H17N3O2S
MOLECULAR WEIGHT: 327.40078
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N3CCCC3=O
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Product OPENEYE NAME: (2R)-2-(4-acetyl-2-methoxy-phenoxy)-N-(2-chloro-3-pyridyl)propanamide
CAS Name: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-chloro-3-pyridinyl)propanamide
IUPAC NAME: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-chloropyridin-3-yl)propanamide
SYSTEMATIC NAME: (2R)-N-(2-chloranylpyridin-3-yl)-2-(4-ethanoyl-2-methoxy-phenoxy)propanamide
MOLECULAR FORMULA: C17H17ClN2O4
MOLECULAR WEIGHT: 348.78088
SMILES: C[C@H](C(=O)NC1=C(N=CC=C1)Cl)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: (2S)-2-(4-acetyl-2-methoxy-phenoxy)-N-(2,5-difluorophenyl)propanamide
CAS Name: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-difluorophenyl)propanamide
IUPAC NAME: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-difluorophenyl)propanamide
SYSTEMATIC NAME: (2S)-N-[2,5-bis(fluoranyl)phenyl]-2-(4-ethanoyl-2-methoxy-phenoxy)propanamide
MOLECULAR FORMULA: C18H17F2NO4
MOLECULAR WEIGHT: 349.328686
SMILES: C[C@@H](C(=O)NC1=C(C=CC(=C1)F)F)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-indan-5-yl-acetamide
CAS Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C23H30N3O3S+
MOLECULAR WEIGHT: 428.5676
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC4=C(CCC4)C=C3)C
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