Sunday, February 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 6a,9a-dichloro-6-(2,3-dibromo-4-hydroxy-5-methoxy-phenyl)-8-(2,3,4,5,6-pentafluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 6a,9a-dichloro-6-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-8-(2,3,4,5,6-pentafluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 6a,9a-dichloro-6-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-8-(2,3,4,5,6-pentafluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6-[2,3-bis(bromanyl)-5-methoxy-4-oxidanyl-phenyl]-6a,9a-bis(chloranyl)-8-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C27H15Br2Cl2F5N2O6
MOLECULAR WEIGHT: 789.123816
SMILES: COC1=C(C(=C(C(=C1)C2C3=CCC4C(C3CC5(C2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)NC4=O)Br)Br)O
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Product OPENEYE NAME: 4-[6a,9a-dichloro-6-[2-(2-hydroxyethoxy)phenyl]-1,3,7,9-tetraoxo-8-(2,3,4,5,6-pentafluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]butanoic acid
CAS Name: 4-[6a,9a-dichloro-6-[2-(2-hydroxyethoxy)phenyl]-1,3,7,9-tetraoxo-8-(2,3,4,5,6-pentafluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]butanoic acid
IUPAC NAME: 4-[6a,9a-dichloro-6-[2-(2-hydroxyethoxy)phenyl]-1,3,7,9-tetraoxo-8-(2,3,4,5,6-pentafluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]butanoic acid
SYSTEMATIC NAME: 4-[6a,9a-bis(chloranyl)-6-[2-(2-hydroxyethyloxy)phenyl]-1,3,7,9-tetrakis(oxidanylidene)-8-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]butanoic acid
MOLECULAR FORMULA: C32H25Cl2F5N2O8
MOLECULAR WEIGHT: 731.447516
SMILES: C1C=C2C(CC3(C(=O)N(C(=O)C3(C2C4=CC=CC=C4OCCO)Cl)C5=C(C(=C(C(=C5F)F)F)F)F)Cl)C6C1C(=O)N(C6=O)CCCC(=O)O
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Product OPENEYE NAME: ethyl 2-[2-[(2,4-dimethoxybenzoyl)hydrazono]-4-oxo-thiazolidin-3-yl]acetate
CAS Name: 2-[2-[[(2,4-dimethoxyphenyl)-oxomethyl]hydrazinylidene]-4-oxo-3-thiazolidinyl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[2-[(2,4-dimethoxybenzoyl)hydrazinylidene]-4-oxo-1,3-thiazolidin-3-yl]acetate
SYSTEMATIC NAME: ethyl 2-[2-[(2,4-dimethoxyphenyl)carbonylhydrazinylidene]-4-oxidanylidene-1,3-thiazolidin-3-yl]ethanoate
MOLECULAR FORMULA: C16H19N3O6S
MOLECULAR WEIGHT: 381.40356
SMILES: CCOC(=O)CN1C(=O)CSC1=NNC(=O)C2=C(C=C(C=C2)OC)OC
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Product OPENEYE NAME: 5-[[5-(anilinomethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]oxazolidin-2-one
CAS Name: 5-[[[5-(anilinomethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-2-oxazolidinone
IUPAC NAME: 5-[[5-(anilinomethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-[[5-(phenylazanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C13H14N4O3S
MOLECULAR WEIGHT: 306.34026
SMILES: C1C(OC(=O)N1)CSC2=NN=C(O2)CNC3=CC=CC=C3
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Product OPENEYE NAME: 3-cyclohexyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CAS Name: 3-cyclohexyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
IUPAC NAME: 3-cyclohexyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
SYSTEMATIC NAME: 3-cyclohexyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
MOLECULAR FORMULA: C23H28N2O4
MOLECULAR WEIGHT: 396.47942
SMILES: COC1=CC(=CC(=C1OC)OC)C2NC3=CC=CC=C3C(=O)N2C4CCCCC4
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Product OPENEYE NAME: 6-[3-[(2,2-diphenylacetyl)amino]phenyl]-8-methyl-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CAS Name: 8-methyl-6-[3-[(1-oxo-2,2-diphenylethyl)amino]phenyl]-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
IUPAC NAME: 6-[3-[(2,2-diphenylacetyl)amino]phenyl]-8-methyl-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
SYSTEMATIC NAME: 6-[3-(2,2-diphenylethanoylamino)phenyl]-8-methyl-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
MOLECULAR FORMULA: C35H32N4O2S
MOLECULAR WEIGHT: 572.71918
SMILES: CC1=C(C(N2CCCSC2=N1)C3=CC(=CC=C3)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)NC6=CC=CC=C6
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Product OPENEYE NAME: 1-(azepan-1-yl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]ethanone
CAS Name: 1-(1-azepanyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]ethanone
IUPAC NAME: 1-(azepan-1-yl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]ethanone
SYSTEMATIC NAME: 1-(azepan-1-yl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]ethanone
MOLECULAR FORMULA: C17H21N3O5S
MOLECULAR WEIGHT: 379.43074
SMILES: COC1=CC=C(C=C1)C2=NN=C(O2)S(=O)(=O)CC(=O)N3CCCCCC3
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Product OPENEYE NAME: methyl 2-[[2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Name: 2-[[2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
IUPAC NAME: methyl 2-[[2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-[2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfonyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C22H21N3O8S2
MOLECULAR WEIGHT: 519.54744
SMILES: COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CS(=O)(=O)C3=NN=C(O3)C4COC5=CC=CC=C5O4
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Product OPENEYE NAME: 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methylisoxazol-3-yl)acetamide
CAS Name: 2-[[1-(2,3-dimethylphenyl)-2-imidazolyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
IUPAC NAME: 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SYSTEMATIC NAME: 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)ethanamide
MOLECULAR FORMULA: C17H18N4O2S
MOLECULAR WEIGHT: 342.41542
SMILES: CC1=C(C(=CC=C1)N2C=CN=C2SCC(=O)NC3=NOC(=C3)C)C
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Product OPENEYE NAME: N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-4-morpholinosulfonyl-benzamide
CAS Name: N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-4-(4-morpholinylsulfonyl)benzamide
IUPAC NAME: N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonylbenzamide
SYSTEMATIC NAME: N-[3-ethyl-4,6-bis(fluoranyl)-1,3-benzothiazol-2-ylidene]-4-morpholin-4-ylsulfonyl-benzamide
MOLECULAR FORMULA: C20H19F2N3O4S2
MOLECULAR WEIGHT: 467.509366
SMILES: CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)F)F
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Product OPENEYE NAME: N-(4,5-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-(diisobutylsulfamoyl)benzamide
CAS Name: 4-[bis(2-methylpropyl)sulfamoyl]-N-(4,5-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
IUPAC NAME: 4-[bis(2-methylpropyl)sulfamoyl]-N-(4,5-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SYSTEMATIC NAME: N-[4,5-bis(chloranyl)-3-methyl-1,3-benzothiazol-2-ylidene]-4-[bis(2-methylpropyl)sulfamoyl]benzamide
MOLECULAR FORMULA: C23H27Cl2N3O3S2
MOLECULAR WEIGHT: 528.51478
SMILES: CC(C)CN(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3Cl)Cl)C
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Product OPENEYE NAME: 4-[butyl(methyl)sulfamoyl]-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CAS Name: 4-[butyl(methyl)sulfamoyl]-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
IUPAC NAME: 4-[butyl(methyl)sulfamoyl]-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SYSTEMATIC NAME: 4-[butyl(methyl)sulfamoyl]-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
MOLECULAR FORMULA: C22H27N3O3S2
MOLECULAR WEIGHT: 445.59808
SMILES: CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC(=C3S2)C)C)C
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Product OPENEYE NAME: N-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]-3-methoxy-naphthalene-2-carboxamide
CAS Name: N-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]-3-methoxy-2-naphthalenecarboxamide
IUPAC NAME: N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide
SYSTEMATIC NAME: N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxy-naphthalene-2-carboxamide
MOLECULAR FORMULA: C18H13N3O4
MOLECULAR WEIGHT: 335.31352
SMILES: COC1=CC2=CC=CC=C2C=C1C(=O)NC3=NN=C(O3)C4=CC=CO4
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Product OPENEYE NAME: 2-acetamido-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-methylsulfonyl-butanamide
CAS Name: 2-acetamido-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-methylsulfonylbutanamide
IUPAC NAME: 2-acetamido-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-methylsulfonylbutanamide
SYSTEMATIC NAME: 2-acetamido-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-methylsulfonyl-butanamide
MOLECULAR FORMULA: C21H23N3O4S2
MOLECULAR WEIGHT: 445.55502
SMILES: CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(CCS(=O)(=O)C)NC(=O)C
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Product OPENEYE NAME: N-[(4-fluorophenyl)methyl]-2-[[6-methyl-4-oxo-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CAS Name: N-[(4-fluorophenyl)methyl]-2-[[6-methyl-3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetamide
IUPAC NAME: N-[(4-fluorophenyl)methyl]-2-[[6-methyl-3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-[(4-fluorophenyl)methyl]-2-[[6-methyl-3-(4-methylphenyl)-4-oxidanylidene-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C23H22FN3O2S2
MOLECULAR WEIGHT: 455.568083
SMILES: CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NCC3=CC=C(C=C3)F)C4=CC=C(C=C4)C
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Product OPENEYE NAME: 5-(3,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-8,8-dimethyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione
CAS Name: 5-(3,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methylthio]-8,8-dimethyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione
IUPAC NAME: 5-(3,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-8,8-dimethyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione
SYSTEMATIC NAME: 5-(3,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-8,8-dimethyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione
MOLECULAR FORMULA: C28H28FN3O4S
MOLECULAR WEIGHT: 521.603023
SMILES: CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC=CC=C4F)C5=CC(=C(C=C5)OC)OC)C(=O)C1)C
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Product OPENEYE NAME: 5-[(4-chloro-3-nitro-phenyl)methylene]-3-(4-nitrophenyl)-2-thioxo-thiazolidin-4-one
CAS Name: 5-[(4-chloro-3-nitrophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-4-thiazolidinone
IUPAC NAME: 5-[(4-chloro-3-nitrophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-[(4-chloranyl-3-nitro-phenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C16H8ClN3O5S2
MOLECULAR WEIGHT: 421.83482
SMILES: C1=CC(=CC=C1N2C(=O)C(=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])SC2=S)[N+](=O)[O-]
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Product OPENEYE NAME: N-[(2-chloro-6-fluoro-phenyl)methyleneamino]-4-morpholino-6-(1-piperidyl)-1,3,5-triazin-2-amine
CAS Name: N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-(4-morpholinyl)-6-(1-piperidinyl)-1,3,5-triazin-2-amine
IUPAC NAME: N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: N-[(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C19H23ClFN7O
MOLECULAR WEIGHT: 419.883623
SMILES: C1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=C(C=CC=C3Cl)F)N4CCOCC4
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Product OPENEYE NAME: ethyl 2-[2-bromo-4-[[2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-yl-ethyl)thiazolidin-5-ylidene]methyl]-6-methoxy-phenoxy]acetate
CAS Name: 2-[2-bromo-4-[[2,4-dioxo-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5-thiazolidinylidene]methyl]-6-methoxyphenoxy]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[2-bromo-4-[[2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenoxy]acetate
SYSTEMATIC NAME: ethyl 2-[4-[[2,4-bis(oxidanylidene)-3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,3-thiazolidin-5-ylidene]methyl]-2-bromanyl-6-methoxy-phenoxy]ethanoate
MOLECULAR FORMULA: C21H23BrN2O7S
MOLECULAR WEIGHT: 527.38552
SMILES: CCOC(=O)COC1=C(C=C(C=C1Br)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCC3)OC
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Product OPENEYE NAME: 1,3-bis(m-tolyl)benzene
CAS Name: 1,3-bis(3-methylphenyl)benzene
IUPAC NAME: 1,3-bis(3-methylphenyl)benzene
SYSTEMATIC NAME: 1,3-bis(3-methylphenyl)benzene
MOLECULAR FORMULA: C20H18
MOLECULAR WEIGHT: 258.35692
SMILES: CC1=CC=CC(=C1)C2=CC(=CC=C2)C3=CC(=CC=C3)C
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Product OPENEYE NAME: 3-(2-phenoxyethoxy)aniline
CAS Name: 3-(2-phenoxyethoxy)aniline
IUPAC NAME: 3-(2-phenoxyethoxy)aniline
SYSTEMATIC NAME: 3-(2-phenoxyethoxy)aniline
MOLECULAR FORMULA: C14H15NO2
MOLECULAR WEIGHT: 229.2744
SMILES: C1=CC=C(C=C1)OCCOC2=CC=CC(=C2)N
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Product OPENEYE NAME: 1,1-dibenzyl-3-(2-chloro-4-nitro-phenyl)urea
CAS Name: 3-(2-chloro-4-nitrophenyl)-1,1-bis(phenylmethyl)urea
IUPAC NAME: 1,1-dibenzyl-3-(2-chloro-4-nitrophenyl)urea
SYSTEMATIC NAME: 3-(2-chloranyl-4-nitro-phenyl)-1,1-bis(phenylmethyl)urea
MOLECULAR FORMULA: C21H18ClN3O3
MOLECULAR WEIGHT: 395.83892
SMILES: C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl
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