Saturday, December 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: dimethyl 5-amino-3-[(2-amino-4-fluoro-benzoyl)oxymethyl]thiophene-2,4-dicarboxylate
CAS Name: 5-amino-3-[[(2-amino-4-fluorophenyl)-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 5-amino-3-[(2-amino-4-fluorobenzoyl)oxymethyl]thiophene-2,4-dicarboxylate
SYSTEMATIC NAME: dimethyl 5-azanyl-3-[(2-azanyl-4-fluoranyl-phenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate
MOLECULAR FORMULA: C16H15FN2O6S
MOLECULAR WEIGHT: 382.363503
SMILES: COC(=O)C1=C(SC(=C1COC(=O)C2=C(C=C(C=C2)F)N)C(=O)OC)N
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Product OPENEYE NAME: 3-(3-fluoro-4-methyl-phenyl)-2-[[5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]quinazolin-4-one
CAS Name: 3-(3-fluoro-4-methylphenyl)-2-[[5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methylthio]-4-quinazolinone
IUPAC NAME: 3-(3-fluoro-4-methylphenyl)-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one
SYSTEMATIC NAME: 3-(3-fluoranyl-4-methyl-phenyl)-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one
MOLECULAR FORMULA: C22H15FN4O2S2
MOLECULAR WEIGHT: 450.508503
SMILES: CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NOC(=N4)C5=CSC=C5)F
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Product OPENEYE NAME: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 2-(3,4-dimethoxyphenyl)thiazole-4-carboxylate
CAS Name: 2-(3,4-dimethoxyphenyl)-4-thiazolecarboxylic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester
IUPAC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C19H15N3O5S2
MOLECULAR WEIGHT: 429.4695
SMILES: COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)OCC3=NOC(=N3)C4=CSC=C4)OC
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Product OPENEYE NAME: N-[(4-fluorophenyl)methyl]-5-[[5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CAS Name: N-[(4-fluorophenyl)methyl]-5-[[5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methylthio]-1,3,4-thiadiazol-2-amine
IUPAC NAME: N-[(4-fluorophenyl)methyl]-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: N-[(4-fluorophenyl)methyl]-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C16H12FN5OS3
MOLECULAR WEIGHT: 405.492783
SMILES: C1=CC(=CC=C1CNC2=NN=C(S2)SCC3=NOC(=N3)C4=CSC=C4)F
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Product OPENEYE NAME: 1H-indazol-7-yl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CAS Name: 1H-indazol-7-yl-[2-(4-methoxyphenyl)-1-pyrrolidinyl]methanone
IUPAC NAME: 1H-indazol-7-yl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SYSTEMATIC NAME: 1H-indazol-7-yl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
MOLECULAR FORMULA: C19H19N3O2
MOLECULAR WEIGHT: 321.37306
SMILES: COC1=CC=C(C=C1)C2CCCN2C(=O)C3=CC=CC4=C3NN=C4
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Product OPENEYE NAME: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CAS Name: 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester
IUPAC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
SYSTEMATIC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]benzoate
MOLECULAR FORMULA: C17H15N3O5S2
MOLECULAR WEIGHT: 405.4481
SMILES: C1CN(S(=O)(=O)C1)C2=CC=C(C=C2)C(=O)OCC3=NOC(=N3)C4=CSC=C4
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Product OPENEYE NAME: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate
CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester
IUPAC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(2-amino-2-oxoethyl)sulfanylbenzoate
SYSTEMATIC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate
MOLECULAR FORMULA: C16H13N3O4S2
MOLECULAR WEIGHT: 375.42212
SMILES: C1=CC=C(C(=C1)C(=O)OCC2=NOC(=N2)C3=CSC=C3)SCC(=O)N
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Product OPENEYE NAME: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
CAS Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-(2,4,5-trimethyl-6-thieno[2,3-d]pyrimidinyl)methanone
IUPAC NAME: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
SYSTEMATIC NAME: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
MOLECULAR FORMULA: C22H23N3O3S
MOLECULAR WEIGHT: 409.50132
SMILES: CC1=C(SC2=NC(=NC(=C12)C)C)C(=O)N3CCCC3C4=CC5=C(C=C4)OCCO5
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Product OPENEYE NAME: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone
CAS Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-(1H-indazol-7-yl)methanone
IUPAC NAME: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone
SYSTEMATIC NAME: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone
MOLECULAR FORMULA: C20H19N3O3
MOLECULAR WEIGHT: 349.38316
SMILES: C1CC(N(C1)C(=O)C2=CC=CC3=C2NN=C3)C4=CC5=C(C=C4)OCCO5
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Product OPENEYE NAME: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 2-(2-amino-2-oxo-ethoxy)benzoate
CAS Name: 2-(2-amino-2-oxoethoxy)benzoic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester
IUPAC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(2-amino-2-oxoethoxy)benzoate
SYSTEMATIC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(2-azanyl-2-oxidanylidene-ethoxy)benzoate
MOLECULAR FORMULA: C16H13N3O5S
MOLECULAR WEIGHT: 359.35652
SMILES: C1=CC=C(C(=C1)C(=O)OCC2=NOC(=N2)C3=CSC=C3)OCC(=O)N
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Product OPENEYE NAME: dimethyl 5-amino-3-[[1-(difluoromethyl)benzimidazol-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate
CAS Name: 5-amino-3-[[[1-(difluoromethyl)-2-benzimidazolyl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 5-amino-3-[[1-(difluoromethyl)benzimidazol-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate
SYSTEMATIC NAME: dimethyl 5-azanyl-3-[[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate
MOLECULAR FORMULA: C17H15F2N3O4S2
MOLECULAR WEIGHT: 427.445506
SMILES: COC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3N2C(F)F)C(=O)OC)N
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Product OPENEYE NAME: 3-[[1-(difluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-5-(3-thienyl)-1,2,4-oxadiazole
CAS Name: 3-[[[1-(difluoromethyl)-2-benzimidazolyl]thio]methyl]-5-(3-thiophenyl)-1,2,4-oxadiazole
IUPAC NAME: 3-[[1-(difluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole
SYSTEMATIC NAME: 3-[[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole
MOLECULAR FORMULA: C15H10F2N4OS2
MOLECULAR WEIGHT: 364.392906
SMILES: C1=CC=C2C(=C1)N=C(N2C(F)F)SCC3=NOC(=N3)C4=CSC=C4
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Product OPENEYE NAME: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 4-allyloxy-3-methoxy-benzoate
CAS Name: 3-methoxy-4-prop-2-enoxybenzoic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester
IUPAC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-methoxy-4-prop-2-enoxybenzoate
SYSTEMATIC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-methoxy-4-prop-2-enoxy-benzoate
MOLECULAR FORMULA: C18H16N2O5S
MOLECULAR WEIGHT: 372.39504
SMILES: COC1=C(C=CC(=C1)C(=O)OCC2=NOC(=N2)C3=CSC=C3)OCC=C
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Product OPENEYE NAME: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 2-methyl-6-phenyl-pyridine-3-carboxylate
CAS Name: 2-methyl-6-phenyl-3-pyridinecarboxylic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester
IUPAC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate
SYSTEMATIC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-methyl-6-phenyl-pyridine-3-carboxylate
MOLECULAR FORMULA: C20H15N3O3S
MOLECULAR WEIGHT: 377.4164
SMILES: CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)OCC3=NOC(=N3)C4=CSC=C4
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Product OPENEYE NAME: [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone
CAS Name: [2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-(1H-indazol-7-yl)methanone
IUPAC NAME: [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone
SYSTEMATIC NAME: [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone
MOLECULAR FORMULA: C20H21N3O3
MOLECULAR WEIGHT: 351.39904
SMILES: COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)C3=CC=CC4=C3NN=C4
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Product OPENEYE NAME: 4-[[4-[[5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine
CAS Name: 4-[[4-[[5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methylthio]-2-quinazolinyl]methyl]morpholine
IUPAC NAME: 4-[[4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine
SYSTEMATIC NAME: 4-[[4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine
MOLECULAR FORMULA: C20H19N5O2S2
MOLECULAR WEIGHT: 425.52716
SMILES: C1COCCN1CC2=NC3=CC=CC=C3C(=N2)SCC4=NOC(=N4)C5=CSC=C5
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Product OPENEYE NAME: 3-[[2-(2-furyl)quinazolin-4-yl]sulfanylmethyl]-5-(3-thienyl)-1,2,4-oxadiazole
CAS Name: 3-[[[2-(2-furanyl)-4-quinazolinyl]thio]methyl]-5-(3-thiophenyl)-1,2,4-oxadiazole
IUPAC NAME: 3-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole
SYSTEMATIC NAME: 3-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole
MOLECULAR FORMULA: C19H12N4O2S2
MOLECULAR WEIGHT: 392.45418
SMILES: C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CO3)SCC4=NOC(=N4)C5=CSC=C5
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Product OPENEYE NAME: dimethyl 5-amino-3-[(3-chloro-2-pyridyl)sulfanylmethyl]thiophene-2,4-dicarboxylate
CAS Name: 5-amino-3-[[(3-chloro-2-pyridinyl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 5-amino-3-[(3-chloropyridin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate
SYSTEMATIC NAME: dimethyl 5-azanyl-3-[(3-chloranylpyridin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate
MOLECULAR FORMULA: C14H13ClN2O4S2
MOLECULAR WEIGHT: 372.84702
SMILES: COC(=O)C1=C(SC(=C1CSC2=C(C=CC=N2)Cl)C(=O)OC)N
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