Thursday, August 11, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1-cyclohexyl-5-sec-butyl-hexahydropyrimidine-2,4,6-trione
CAS Name: 5-butan-2-yl-1-cyclohexyl-1,3-diazinane-2,4,6-trione
IUPAC NAME: 5-butan-2-yl-1-cyclohexyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-butan-2-yl-1-cyclohexyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C14H22N2O3
MOLECULAR WEIGHT: 266.33608
SMILES: CCC(C)C1C(=O)NC(=O)N(C1=O)C2CCCCC2
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Product OPENEYE NAME: 7-methoxy-4-(4-pyridyl)chromen-2-one
CAS Name: 7-methoxy-4-pyridin-4-yl-1-benzopyran-2-one
IUPAC NAME: 7-methoxy-4-pyridin-4-ylchromen-2-one
SYSTEMATIC NAME: 7-methoxy-4-pyridin-4-yl-chromen-2-one
MOLECULAR FORMULA: C15H11NO3
MOLECULAR WEIGHT: 253.25274
SMILES: COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=NC=C3
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Product OPENEYE NAME: 4-ethylsulfonylnaphthalene-1-sulfonamide
CAS Name: 4-ethylsulfonyl-1-naphthalenesulfonamide
IUPAC NAME: 4-ethylsulfonylnaphthalene-1-sulfonamide
SYSTEMATIC NAME: 4-ethylsulfonylnaphthalene-1-sulfonamide
MOLECULAR FORMULA: C12H13NO4S2
MOLECULAR WEIGHT: 299.36592
SMILES: CCS(=O)(=O)C1=CC=C(C2=CC=CC=C21)S(=O)(=O)N
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Product OPENEYE NAME: N-hydroxy-N-(4-styrylphenyl)acetamide
CAS Name: N-hydroxy-N-[4-(2-phenylethenyl)phenyl]acetamide
IUPAC NAME: N-hydroxy-N-[4-(2-phenylethenyl)phenyl]acetamide
SYSTEMATIC NAME: N-oxidanyl-N-[4-(2-phenylethenyl)phenyl]ethanamide
MOLECULAR FORMULA: C16H15NO2
MOLECULAR WEIGHT: 253.2958
SMILES: CC(=O)N(C1=CC=C(C=C1)C=CC2=CC=CC=C2)O
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Product OPENEYE NAME: 1-cyclohexyl-5-(1-methylbutyl)hexahydropyrimidine-2,4,6-trione
CAS Name: 1-cyclohexyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
IUPAC NAME: 1-cyclohexyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1-cyclohexyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C15H24N2O3
MOLECULAR WEIGHT: 280.36266
SMILES: CCCC(C)C1C(=O)NC(=O)N(C1=O)C2CCCCC2
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Product OPENEYE NAME: 1-cyclohexyl-5-pentyl-hexahydropyrimidine-2,4,6-trione
CAS Name: 1-cyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione
IUPAC NAME: 1-cyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1-cyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C15H24N2O3
MOLECULAR WEIGHT: 280.36266
SMILES: CCCCCC1C(=O)NC(=O)N(C1=O)C2CCCCC2
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Product OPENEYE NAME: N-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CAS Name: N-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: N-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: N-phenyl-N-[3-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C15H12F3NO
MOLECULAR WEIGHT: 279.25709
SMILES: CC(=O)N(C1=CC=CC=C1)C2=CC=CC(=C2)C(F)(F)F
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Product OPENEYE NAME: N2,N4-bis(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CAS Name: N2,N4-bis(3-methoxypropyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine
IUPAC NAME: 2-N,4-N-bis(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: N2,N4-bis(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C12H23N5O2S
MOLECULAR WEIGHT: 301.40832
SMILES: COCCCNC1=NC(=NC(=N1)SC)NCCCOC
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Product OPENEYE NAME: 1,5-dicyclohexylhexahydropyrimidine-2,4,6-trione
CAS Name: 1,5-dicyclohexyl-1,3-diazinane-2,4,6-trione
IUPAC NAME: 1,5-dicyclohexyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1,5-dicyclohexyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C16H24N2O3
MOLECULAR WEIGHT: 292.37336
SMILES: C1CCC(CC1)C2C(=O)NC(=O)N(C2=O)C3CCCCC3
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Product OPENEYE NAME: 1-cyclohexyl-5-phenyl-hexahydropyrimidine-2,4,6-trione
CAS Name: 1-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione
IUPAC NAME: 1-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C16H18N2O3
MOLECULAR WEIGHT: 286.32572
SMILES: C1CCC(CC1)N2C(=O)C(C(=O)NC2=O)C3=CC=CC=C3
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Product OPENEYE NAME: (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CAS Name: (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C19H26O2
MOLECULAR WEIGHT: 286.40854
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)C=C[C@]34C
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Product OPENEYE NAME: 3-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethyl-ammonium chloride
CAS Name: 3-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethylammonium chloride
IUPAC NAME: 3-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethylazanium chloride
SYSTEMATIC NAME: 3-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethyl-azanium chloride
MOLECULAR FORMULA: C19H24ClNS
MOLECULAR WEIGHT: 333.91856
SMILES: C[NH+](C)CCCC1C2=CC=CC=C2CSC3=CC=CC=C13.[Cl-]
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Product OPENEYE NAME: 3-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N,N-dimethyl-propan-1-amine
CAS Name: 3-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N,N-dimethyl-1-propanamine
IUPAC NAME: 3-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N,N-dimethylpropan-1-amine
SYSTEMATIC NAME: 3-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N,N-dimethyl-propan-1-amine
MOLECULAR FORMULA: C19H23NS
MOLECULAR WEIGHT: 297.45762
SMILES: CN(C)CCCC1C2=CC=CC=C2CSC3=CC=CC=C13
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