Monday, March 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-methyl-6-(1-piperidylsulfonyl)-1,3-benzothiazole
CAS Name: 2-methyl-6-(1-piperidinylsulfonyl)-1,3-benzothiazole
IUPAC NAME: 2-methyl-6-piperidin-1-ylsulfonyl-1,3-benzothiazole
SYSTEMATIC NAME: 2-methyl-6-piperidin-1-ylsulfonyl-1,3-benzothiazole
MOLECULAR FORMULA: C13H16N2O2S2
MOLECULAR WEIGHT: 296.40834
SMILES: CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCCCC3
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Product OPENEYE NAME: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanyl-acetamide
CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[1-(2-phenylethyl)-2-benzimidazolyl]thio]acetamide
IUPAC NAME: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
SYSTEMATIC NAME: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanyl-ethanamide
MOLECULAR FORMULA: C27H29N3O3S
MOLECULAR WEIGHT: 475.60246
SMILES: COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4)OC
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Product OPENEYE NAME: N-(2-amino-2-oxo-ethyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetamide
CAS Name: N-(2-amino-2-oxoethyl)-2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetamide
IUPAC NAME: N-(2-amino-2-oxoethyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
SYSTEMATIC NAME: N-(2-azanyl-2-oxidanylidene-ethyl)-2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanamide
MOLECULAR FORMULA: C21H20ClN3O4
MOLECULAR WEIGHT: 413.8542
SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NCC(=O)N
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Product OPENEYE NAME: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3,4-dimethoxy-N-methyl-benzenesulfonamide
CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3,4-dimethoxy-N-methylbenzenesulfonamide
IUPAC NAME: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4-dimethoxy-N-methylbenzenesulfonamide
SYSTEMATIC NAME: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3,4-dimethoxy-N-methyl-benzenesulfonamide
MOLECULAR FORMULA: C20H23N3O5S
MOLECULAR WEIGHT: 417.47872
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)S(=O)(=O)C3=CC(=C(C=C3)OC)OC
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Product OPENEYE NAME: 1,3-dibenzyl-2-(2,3,4-trimethoxyphenyl)hexahydropyrimidine
CAS Name: 1,3-bis(phenylmethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-diazinane
IUPAC NAME: 1,3-dibenzyl-2-(2,3,4-trimethoxyphenyl)-1,3-diazinane
SYSTEMATIC NAME: 1,3-bis(phenylmethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-diazinane
MOLECULAR FORMULA: C27H32N2O3
MOLECULAR WEIGHT: 432.55458
SMILES: COC1=C(C(=C(C=C1)C2N(CCCN2CC3=CC=CC=C3)CC4=CC=CC=C4)OC)OC
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Product OPENEYE NAME: 3-(o-tolyl)-2-(pyrimidin-2-ylsulfanylmethyl)quinazolin-4-one
CAS Name: 3-(2-methylphenyl)-2-[(2-pyrimidinylthio)methyl]-4-quinazolinone
IUPAC NAME: 3-(2-methylphenyl)-2-(pyrimidin-2-ylsulfanylmethyl)quinazolin-4-one
SYSTEMATIC NAME: 3-(2-methylphenyl)-2-(pyrimidin-2-ylsulfanylmethyl)quinazolin-4-one
MOLECULAR FORMULA: C20H16N4OS
MOLECULAR WEIGHT: 360.43224
SMILES: CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC4=NC=CC=N4
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Product OPENEYE NAME: [2-(2-chloro-4-nitro-phenoxy)phenyl]-morpholino-methanone
CAS Name: [2-(2-chloro-4-nitrophenoxy)phenyl]-(4-morpholinyl)methanone
IUPAC NAME: [2-(2-chloro-4-nitrophenoxy)phenyl]-morpholin-4-ylmethanone
SYSTEMATIC NAME: [2-(2-chloranyl-4-nitro-phenoxy)phenyl]-morpholin-4-yl-methanone
MOLECULAR FORMULA: C17H15ClN2O5
MOLECULAR WEIGHT: 362.7644
SMILES: C1COCCN1C(=O)C2=CC=CC=C2OC3=C(C=C(C=C3)[N+](=O)[O-])Cl
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Product OPENEYE NAME: N,N-dimethyl-4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CAS Name: N,N-dimethyl-4-[oxo-(4-phenyl-1-piperidinyl)methyl]benzenesulfonamide
IUPAC NAME: N,N-dimethyl-4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
SYSTEMATIC NAME: N,N-dimethyl-4-(4-phenylpiperidin-1-yl)carbonyl-benzenesulfonamide
MOLECULAR FORMULA: C20H24N2O3S
MOLECULAR WEIGHT: 372.48116
SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C3=CC=CC=C3
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Product OPENEYE NAME: (2S)-3-(2-methoxyphenyl)-2-(3-methyl-2-thienyl)-1,2-dihydroquinazolin-4-one
CAS Name: (2S)-3-(2-methoxyphenyl)-2-(3-methyl-2-thiophenyl)-1,2-dihydroquinazolin-4-one
IUPAC NAME: (2S)-3-(2-methoxyphenyl)-2-(3-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
SYSTEMATIC NAME: (2S)-3-(2-methoxyphenyl)-2-(3-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
MOLECULAR FORMULA: C20H18N2O2S
MOLECULAR WEIGHT: 350.43412
SMILES: CC1=C(SC=C1)[C@H]2NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4OC
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Product OPENEYE NAME: (2R)-3-(2-methoxyphenyl)-2-(3-methyl-2-thienyl)-1,2-dihydroquinazolin-4-one
CAS Name: (2R)-3-(2-methoxyphenyl)-2-(3-methyl-2-thiophenyl)-1,2-dihydroquinazolin-4-one
IUPAC NAME: (2R)-3-(2-methoxyphenyl)-2-(3-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
SYSTEMATIC NAME: (2R)-3-(2-methoxyphenyl)-2-(3-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
MOLECULAR FORMULA: C20H18N2O2S
MOLECULAR WEIGHT: 350.43412
SMILES: CC1=C(SC=C1)[C@@H]2NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4OC
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Product OPENEYE NAME: 3-(4-benzoylpiperazin-1-yl)sulfonylbenzoic acid
CAS Name: 3-[(4-benzoyl-1-piperazinyl)sulfonyl]benzoic acid
IUPAC NAME: 3-(4-benzoylpiperazin-1-yl)sulfonylbenzoic acid
SYSTEMATIC NAME: 3-[4-(phenylcarbonyl)piperazin-1-yl]sulfonylbenzoic acid
MOLECULAR FORMULA: C18H18N2O5S
MOLECULAR WEIGHT: 374.41092
SMILES: C1CN(CCN1C(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O
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Product OPENEYE NAME: N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-2-chloro-5-methylsulfanyl-benzamide
CAS Name: N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-2-chloro-5-(methylthio)benzamide
IUPAC NAME: N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-2-chloro-5-methylsulfanylbenzamide
SYSTEMATIC NAME: 2-chloranyl-N-(11-ethanoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-5-methylsulfanyl-benzamide
MOLECULAR FORMULA: C24H21ClN2O2S
MOLECULAR WEIGHT: 436.95374
SMILES: CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)C4=C(C=CC(=C4)SC)Cl
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Product OPENEYE NAME: N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-2-methylsulfanyl-benzamide
CAS Name: N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-2-(methylthio)benzamide
IUPAC NAME: N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-2-methylsulfanylbenzamide
SYSTEMATIC NAME: N-(11-ethanoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-2-methylsulfanyl-benzamide
MOLECULAR FORMULA: C24H22N2O2S
MOLECULAR WEIGHT: 402.50868
SMILES: CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)C4=CC=CC=C4SC
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