Friday, April 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-(3-chloro-4-methoxy-phenyl)-4,6-dimorpholino-1,3,5-triazin-2-amine
CAS Name: N-(3-chloro-4-methoxyphenyl)-4,6-bis(4-morpholinyl)-1,3,5-triazin-2-amine
IUPAC NAME: N-(3-chloro-4-methoxyphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: N-(3-chloranyl-4-methoxy-phenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C18H23ClN6O3
MOLECULAR WEIGHT: 406.86662
SMILES: COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4)Cl
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Product OPENEYE NAME: 4,6-dimorpholino-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CAS Name: 4,6-bis(4-morpholinyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
IUPAC NAME: 4,6-dimorpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4,6-dimorpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C18H21F3N6O2
MOLECULAR WEIGHT: 410.39355
SMILES: C1COCCN1C2=NC(=NC(=N2)NC3=CC=CC(=C3)C(F)(F)F)N4CCOCC4
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Product OPENEYE NAME: 2-(6-methyl-2-phenyl-pyrimidin-4-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CAS Name: 2-[(6-methyl-2-phenyl-4-pyrimidinyl)thio]-N-(4-sulfamoylphenyl)acetamide
IUPAC NAME: 2-(6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
SYSTEMATIC NAME: 2-(6-methyl-2-phenyl-pyrimidin-4-yl)sulfanyl-N-(4-sulfamoylphenyl)ethanamide
MOLECULAR FORMULA: C19H18N4O3S2
MOLECULAR WEIGHT: 414.50122
SMILES: CC1=CC(=NC(=N1)C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N
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Product OPENEYE NAME: N-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)-N',N'-diethyl-ethane-1,2-diamine
CAS Name: N',N'-diethyl-N-[3-(phenylmethyl)-7-triazolo[4,5-d]pyrimidinyl]ethane-1,2-diamine
IUPAC NAME: N-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)-N',N'-diethylethane-1,2-diamine
SYSTEMATIC NAME: N',N'-diethyl-N-[3-(phenylmethyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]ethane-1,2-diamine
MOLECULAR FORMULA: C17H23N7
MOLECULAR WEIGHT: 325.41142
SMILES: CCN(CC)CCNC1=NC=NC2=C1N=NN2CC3=CC=CC=C3
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Product OPENEYE NAME: 2-(2-isopropylphenoxy)-N-[4-(thiazol-2-ylsulfamoyl)phenyl]acetamide
CAS Name: 2-(2-propan-2-ylphenoxy)-N-[4-(2-thiazolylsulfamoyl)phenyl]acetamide
IUPAC NAME: 2-(2-propan-2-ylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SYSTEMATIC NAME: 2-(2-propan-2-ylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide
MOLECULAR FORMULA: C20H21N3O4S2
MOLECULAR WEIGHT: 431.52844
SMILES: CC(C)C1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3
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Product OPENEYE NAME: 2-[[4-methyl-5-(morpholinomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: 2-[[4-methyl-5-(4-morpholinylmethyl)-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: 2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: 2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C10H17N5O2S
MOLECULAR WEIGHT: 271.33928
SMILES: CN1C(=NN=C1SCC(=O)N)CN2CCOCC2
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Product OPENEYE NAME: [2-oxo-2-(thiazol-2-ylamino)ethyl] 2-anilinobenzoate
CAS Name: 2-anilinobenzoic acid [2-oxo-2-(2-thiazolylamino)ethyl] ester
IUPAC NAME: [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-anilinobenzoate
SYSTEMATIC NAME: [2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl] 2-phenylazanylbenzoate
MOLECULAR FORMULA: C18H15N3O3S
MOLECULAR WEIGHT: 353.395
SMILES: C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)OCC(=O)NC3=NC=CS3
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Product OPENEYE NAME: (2-indolin-1-yl-2-oxo-ethyl) 2-fluorobenzoate
CAS Name: 2-fluorobenzoic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-fluorobenzoate
SYSTEMATIC NAME: [2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 2-fluoranylbenzoate
MOLECULAR FORMULA: C17H14FNO3
MOLECULAR WEIGHT: 299.296363
SMILES: C1CN(C2=CC=CC=C21)C(=O)COC(=O)C3=CC=CC=C3F
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Product OPENEYE NAME: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2-anilinobenzoate
CAS Name: 2-anilinobenzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-anilinobenzoate
SYSTEMATIC NAME: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-phenylazanylbenzoate
MOLECULAR FORMULA: C22H18N2O5
MOLECULAR WEIGHT: 390.38872
SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3NC4=CC=CC=C4
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Product OPENEYE NAME: [2-(2-morpholinoanilino)-2-oxo-ethyl] 4-fluorobenzoate
CAS Name: 4-fluorobenzoic acid [2-[2-(4-morpholinyl)anilino]-2-oxoethyl] ester
IUPAC NAME: [2-(2-morpholin-4-ylanilino)-2-oxoethyl] 4-fluorobenzoate
SYSTEMATIC NAME: [2-[(2-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 4-fluoranylbenzoate
MOLECULAR FORMULA: C19H19FN2O4
MOLECULAR WEIGHT: 358.363563
SMILES: C1COCCN1C2=CC=CC=C2NC(=O)COC(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: (2-indolin-1-yl-2-oxo-ethyl) 2-aminobenzoate
CAS Name: 2-aminobenzoic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-aminobenzoate
SYSTEMATIC NAME: [2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 2-azanylbenzoate
MOLECULAR FORMULA: C17H16N2O3
MOLECULAR WEIGHT: 296.32054
SMILES: C1CN(C2=CC=CC=C21)C(=O)COC(=O)C3=CC=CC=C3N
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Product OPENEYE NAME: 2-[[5-(morpholinomethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: 2-[[5-(4-morpholinylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: 2-[[5-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: 2-[[5-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C15H19N5O2S
MOLECULAR WEIGHT: 333.40866
SMILES: C1COCCN1CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N
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Product OPENEYE NAME: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2-fluorobenzoate
CAS Name: 2-fluorobenzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-fluorobenzoate
SYSTEMATIC NAME: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-fluoranylbenzoate
MOLECULAR FORMULA: C16H12FNO5
MOLECULAR WEIGHT: 317.268583
SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3F
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Product OPENEYE NAME: 2-[4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-2-methoxy-phenoxy]acetamide
CAS Name: 2-[4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-2-methoxyphenoxy]acetamide
IUPAC NAME: 2-[4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-2-methoxyphenoxy]acetamide
SYSTEMATIC NAME: 2-[4-[1,8-bis(oxidanylidene)-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl]-2-methoxy-phenoxy]ethanamide
MOLECULAR FORMULA: C22H23NO6
MOLECULAR WEIGHT: 397.42112
SMILES: COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)OCC(=O)N
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Product OPENEYE NAME: 2-[2-chloro-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenoxy]acetamide
CAS Name: 2-[2-chloro-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenoxy]acetamide
IUPAC NAME: 2-[2-chloro-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenoxy]acetamide
SYSTEMATIC NAME: 2-[4-[1,8-bis(oxidanylidene)-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl]-2-chloranyl-phenoxy]ethanamide
MOLECULAR FORMULA: C21H20ClNO5
MOLECULAR WEIGHT: 401.8402
SMILES: C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC(=C(C=C4)OCC(=O)N)Cl)C(=O)C1
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Product OPENEYE NAME: 2-[4-chloro-2-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenoxy]acetamide
CAS Name: 2-[4-chloro-2-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenoxy]acetamide
IUPAC NAME: 2-[4-chloro-2-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenoxy]acetamide
SYSTEMATIC NAME: 2-[2-[1,8-bis(oxidanylidene)-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl]-4-chloranyl-phenoxy]ethanamide
MOLECULAR FORMULA: C21H20ClNO5
MOLECULAR WEIGHT: 401.8402
SMILES: C1CC2=C(C(C3=C(O2)CCCC3=O)C4=C(C=CC(=C4)Cl)OCC(=O)N)C(=O)C1
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Product OPENEYE NAME: 2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)-2-methoxy-phenoxy]acetamide
CAS Name: 2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)-2-methoxyphenoxy]acetamide
IUPAC NAME: 2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)-2-methoxyphenoxy]acetamide
SYSTEMATIC NAME: 2-[4-[1,8-bis(oxidanylidene)-2,3,4,5,6,7,9,10-octahydroacridin-9-yl]-2-methoxy-phenoxy]ethanamide
MOLECULAR FORMULA: C22H24N2O5
MOLECULAR WEIGHT: 396.43636
SMILES: COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)CCC4)OCC(=O)N
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Product OPENEYE NAME: ethyl 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CAS Name: 7-amino-3-(4-chlorophenyl)-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 7-azanyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C15H13ClN4O2
MOLECULAR WEIGHT: 316.74232
SMILES: CCOC(=O)C1=C(N2C(=C(C=N2)C3=CC=C(C=C3)Cl)N=C1)N
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Product OPENEYE NAME: ethyl 7-amino-2-methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylate
CAS Name: 7-amino-2-methyl-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 7-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 7-azanyl-2-methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C10H12N4O2
MOLECULAR WEIGHT: 220.22788
SMILES: CCOC(=O)C1=C(N2C(=CC(=N2)C)N=C1)N
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