Tuesday, October 30, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]acetamide
CAS Name: N-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]acetamide
IUPAC NAME: N-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamide
MOLECULAR FORMULA: C16H13N3O2S
MOLECULAR WEIGHT: 311.35832
SMILES: CC(=O)NC1=CC=C(C=C1)OC2=NC(=NS2)C3=CC=CC=C3
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Product OPENEYE NAME: 3-(4-tert-butylphenyl)-5-(2,3-dihydrobenzofuran-5-yl)-1,2,4-oxadiazole
CAS Name: 3-(4-tert-butylphenyl)-5-(2,3-dihydrobenzofuran-5-yl)-1,2,4-oxadiazole
IUPAC NAME: 3-(4-tert-butylphenyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
SYSTEMATIC NAME: 3-(4-tert-butylphenyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
MOLECULAR FORMULA: C20H20N2O2
MOLECULAR WEIGHT: 320.385
SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)C3=CC4=C(C=C3)OCC4
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Product OPENEYE NAME: 3-[3,5-bis(trifluoromethyl)phenyl]-5-(2,3-dihydrobenzofuran-5-yl)-1,2,4-oxadiazole
CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]-5-(2,3-dihydrobenzofuran-5-yl)-1,2,4-oxadiazole
IUPAC NAME: 3-[3,5-bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
SYSTEMATIC NAME: 3-[3,5-bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
MOLECULAR FORMULA: C18H10F6N2O2
MOLECULAR WEIGHT: 400.274619
SMILES: C1COC2=C1C=C(C=C2)C3=NC(=NO3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: 5-(2,3-dihydrobenzofuran-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CAS Name: 5-(2,3-dihydrobenzofuran-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
IUPAC NAME: 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
MOLECULAR FORMULA: C16H11FN2O2
MOLECULAR WEIGHT: 282.269143
SMILES: C1COC2=C1C=C(C=C2)C3=NC(=NO3)C4=CC=C(C=C4)F
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Product OPENEYE NAME: methyl 5-[(1,3-dibenzylhexahydropyrimidin-5-yl)methylsulfamoyl]-2-methyl-furan-3-carboxylate
CAS Name: 5-[[1,3-bis(phenylmethyl)-1,3-diazinan-5-yl]methylsulfamoyl]-2-methyl-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 5-[(1,3-dibenzyl-1,3-diazinan-5-yl)methylsulfamoyl]-2-methylfuran-3-carboxylate
SYSTEMATIC NAME: methyl 5-[[1,3-bis(phenylmethyl)-1,3-diazinan-5-yl]methylsulfamoyl]-2-methyl-furan-3-carboxylate
MOLECULAR FORMULA: C26H31N3O5S
MOLECULAR WEIGHT: 497.60644
SMILES: CC1=C(C=C(O1)S(=O)(=O)NCC2CN(CN(C2)CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)OC
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Product OPENEYE NAME: 4-methoxy-5-methyl-thieno[2,3-d]pyrimidine
CAS Name: 4-methoxy-5-methylthieno[2,3-d]pyrimidine
IUPAC NAME: 4-methoxy-5-methylthieno[2,3-d]pyrimidine
SYSTEMATIC NAME: 4-methoxy-5-methyl-thieno[2,3-d]pyrimidine
MOLECULAR FORMULA: C8H8N2OS
MOLECULAR WEIGHT: 180.22692
SMILES: CC1=CSC2=NC=NC(=C12)OC
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Product OPENEYE NAME: ethyl 4-amino-2-[2-(4,5-dichloro-2-thienyl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate
CAS Name: 4-amino-2-[[2-(4,5-dichloro-2-thiophenyl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-amino-2-[2-(4,5-dichlorothiophen-2-yl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 4-azanyl-2-[2-[4,5-bis(chloranyl)thiophen-2-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C13H11Cl2N3O3S2
MOLECULAR WEIGHT: 392.28074
SMILES: CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=CC(=C(S2)Cl)Cl
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Product OPENEYE NAME: ethyl 4-amino-2-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate
CAS Name: 4-amino-2-[[2-(4-nitroanilino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-amino-2-[2-(4-nitroanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 4-azanyl-2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C15H15N5O5S
MOLECULAR WEIGHT: 377.3751
SMILES: CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 4-amino-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carboxylate
CAS Name: 4-amino-2-[[3-(trifluoromethyl)phenyl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-amino-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 4-azanyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carboxylate
MOLECULAR FORMULA: C15H14F3N3O2S
MOLECULAR WEIGHT: 357.35077
SMILES: CCOC(=O)C1=CN=C(N=C1N)SCC2=CC(=CC=C2)C(F)(F)F
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Product OPENEYE NAME: methyl 4-amino-2-[(4-tert-butylphenyl)methylsulfanyl]pyrimidine-5-carboxylate
CAS Name: 4-amino-2-[(4-tert-butylphenyl)methylthio]-5-pyrimidinecarboxylic acid methyl ester
IUPAC NAME: methyl 4-amino-2-[(4-tert-butylphenyl)methylsulfanyl]pyrimidine-5-carboxylate
SYSTEMATIC NAME: methyl 4-azanyl-2-[(4-tert-butylphenyl)methylsulfanyl]pyrimidine-5-carboxylate
MOLECULAR FORMULA: C17H21N3O2S
MOLECULAR WEIGHT: 331.43254
SMILES: CC(C)(C)C1=CC=C(C=C1)CSC2=NC=C(C(=N2)N)C(=O)OC
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Product OPENEYE NAME: 5-chloro-2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N-(2-thienylmethyl)benzamide
CAS Name: 5-chloro-2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxoethyl]amino]-N-(thiophen-2-ylmethyl)benzamide
IUPAC NAME: 5-chloro-2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N-(thiophen-2-ylmethyl)benzamide
SYSTEMATIC NAME: 5-chloranyl-2-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanoylamino]-N-(thiophen-2-ylmethyl)benzamide
MOLECULAR FORMULA: C24H24ClN3O2S
MOLECULAR WEIGHT: 453.98426
SMILES: CC1=CC2=C(C=C1)N(CCC2)CC(=O)NC3=C(C=C(C=C3)Cl)C(=O)NCC4=CC=CS4
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Product OPENEYE NAME: 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-phenyl-acetamide
CAS Name: 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-phenylacetamide
IUPAC NAME: 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-phenylacetamide
SYSTEMATIC NAME: 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-phenyl-ethanamide
MOLECULAR FORMULA: C18H20N2O
MOLECULAR WEIGHT: 280.3642
SMILES: CC1=CC2=C(C=C1)N(CCC2)CC(=O)NC3=CC=CC=C3
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Product OPENEYE NAME: 2-[2-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-phenyl-acetamide
CAS Name: 2-[[2-(3-acetamidophenyl)-5-tetrazolyl]thio]-N-phenylacetamide
IUPAC NAME: 2-[2-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
SYSTEMATIC NAME: 2-[[2-(3-acetamidophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-phenyl-ethanamide
MOLECULAR FORMULA: C17H16N6O2S
MOLECULAR WEIGHT: 368.41294
SMILES: CC(=O)NC1=CC=CC(=C1)N2N=C(N=N2)SCC(=O)NC3=CC=CC=C3
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Product OPENEYE NAME: 1-(4-methoxyphenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CAS Name: 1-(4-methoxyphenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
IUPAC NAME: 1-(4-methoxyphenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
MOLECULAR FORMULA: C19H21NO2
MOLECULAR WEIGHT: 295.37554
SMILES: CC1=CC2=C(C=C1)N(CCC2)CC(=O)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
IUPAC NAME: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SYSTEMATIC NAME: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
MOLECULAR FORMULA: C20H21NO3
MOLECULAR WEIGHT: 323.38564
SMILES: CC1=CC2=C(C=C1)N(CCC2)CC(=O)C3=CC4=C(C=C3)OCCO4
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Product OPENEYE NAME: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-propanone
IUPAC NAME: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SYSTEMATIC NAME: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
MOLECULAR FORMULA: C24H31N3O2
MOLECULAR WEIGHT: 393.52184
SMILES: CC1=CC2=C(C=C1)N(CCC2)C(C)C(=O)N3CCN(CC3)C4=CC=CC=C4OC
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Product OPENEYE NAME: 2-[2-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenyl-acetamide
CAS Name: 2-[[2-(3-acetamidophenyl)-5-tetrazolyl]thio]-N-methyl-N-phenylacetamide
IUPAC NAME: 2-[2-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylacetamide
SYSTEMATIC NAME: 2-[[2-(3-acetamidophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-methyl-N-phenyl-ethanamide
MOLECULAR FORMULA: C18H18N6O2S
MOLECULAR WEIGHT: 382.43952
SMILES: CC(=O)NC1=CC=CC(=C1)N2N=C(N=N2)SCC(=O)N(C)C3=CC=CC=C3
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Product OPENEYE NAME: 3-[3-(4-fluorophenyl)-6-oxo-pyridazin-1-yl]propanenitrile
CAS Name: 3-[3-(4-fluorophenyl)-6-oxo-1-pyridazinyl]propanenitrile
IUPAC NAME: 3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanenitrile
SYSTEMATIC NAME: 3-[3-(4-fluorophenyl)-6-oxidanylidene-pyridazin-1-yl]propanenitrile
MOLECULAR FORMULA: C13H10FN3O
MOLECULAR WEIGHT: 243.236403
SMILES: C1=CC(=CC=C1C2=NN(C(=O)C=C2)CCC#N)F
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Product OPENEYE NAME: N-[3-(5-phenacylsulfanyltetrazol-2-yl)phenyl]acetamide
CAS Name: N-[3-[5-(phenacylthio)-2-tetrazolyl]phenyl]acetamide
IUPAC NAME: N-[3-(5-phenacylsulfanyltetrazol-2-yl)phenyl]acetamide
SYSTEMATIC NAME: N-[3-(5-phenacylsulfanyl-1,2,3,4-tetrazol-2-yl)phenyl]ethanamide
MOLECULAR FORMULA: C17H15N5O2S
MOLECULAR WEIGHT: 353.3983
SMILES: CC(=O)NC1=CC=CC(=C1)N2N=C(N=N2)SCC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[2-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(3-chloro-4-fluoro-phenyl)acetamide
CAS Name: 2-[[2-(3-acetamidophenyl)-5-tetrazolyl]thio]-N-(3-chloro-4-fluorophenyl)acetamide
IUPAC NAME: 2-[2-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(3-chloro-4-fluorophenyl)acetamide
SYSTEMATIC NAME: 2-[[2-(3-acetamidophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(3-chloranyl-4-fluoranyl-phenyl)ethanamide
MOLECULAR FORMULA: C17H14ClFN6O2S
MOLECULAR WEIGHT: 420.848463
SMILES: CC(=O)NC1=CC=CC(=C1)N2N=C(N=N2)SCC(=O)NC3=CC(=C(C=C3)F)Cl
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Product OPENEYE NAME: 2-[2-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-thienylmethyl)acetamide
CAS Name: 2-[[2-(3-acetamidophenyl)-5-tetrazolyl]thio]-N-(thiophen-2-ylmethyl)acetamide
IUPAC NAME: 2-[2-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SYSTEMATIC NAME: 2-[[2-(3-acetamidophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(thiophen-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C16H16N6O2S2
MOLECULAR WEIGHT: 388.46724
SMILES: CC(=O)NC1=CC=CC(=C1)N2N=C(N=N2)SCC(=O)NCC3=CC=CS3
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Product OPENEYE NAME: 2-[2-(3-acetamidophenyl)tetrazol-5-yl]sulfanylacetamide
CAS Name: 2-[[2-(3-acetamidophenyl)-5-tetrazolyl]thio]acetamide
IUPAC NAME: 2-[2-(3-acetamidophenyl)tetrazol-5-yl]sulfanylacetamide
SYSTEMATIC NAME: 2-[[2-(3-acetamidophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C11H12N6O2S
MOLECULAR WEIGHT: 292.31698
SMILES: CC(=O)NC1=CC=CC(=C1)N2N=C(N=N2)SCC(=O)N
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Product OPENEYE NAME: N-[3-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]sulfanyltetrazol-2-yl]phenyl]acetamide
CAS Name: N-[3-[5-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-2-tetrazolyl]phenyl]acetamide
IUPAC NAME: N-[3-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyltetrazol-2-yl]phenyl]acetamide
SYSTEMATIC NAME: N-[3-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,3,4-tetrazol-2-yl]phenyl]ethanamide
MOLECULAR FORMULA: C19H17N5O4S
MOLECULAR WEIGHT: 411.43438
SMILES: CC(=O)NC1=CC=CC(=C1)N2N=C(N=N2)SCC(=O)C3=CC4=C(C=C3)OCCO4
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