Sunday, February 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 3-(dimethylamino)-1-(4-methylsulfonylphenyl)propan-1-ol
CAS Name: 3-(dimethylamino)-1-(4-methylsulfonylphenyl)-1-propanol
IUPAC NAME: 3-(dimethylamino)-1-(4-methylsulfonylphenyl)propan-1-ol
SYSTEMATIC NAME: 3-(dimethylamino)-1-(4-methylsulfonylphenyl)propan-1-ol
MOLECULAR FORMULA: C12H19NO3S
MOLECULAR WEIGHT: 257.34916
SMILES: CN(C)CCC(C1=CC=C(C=C1)S(=O)(=O)C)O
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Product OPENEYE NAME: 1-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-3-(p-tolylsulfonyl)urea
CAS Name: 1-[3-(4,6-dimethoxy-2-pyrimidinyl)phenyl]-3-(4-methylphenyl)sulfonylurea
IUPAC NAME: 1-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-3-(4-methylphenyl)sulfonylurea
SYSTEMATIC NAME: 1-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-3-(4-methylphenyl)sulfonyl-urea
MOLECULAR FORMULA: C20H20N4O5S
MOLECULAR WEIGHT: 428.4616
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=CC(=C2)C3=NC(=CC(=N3)OC)OC
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Product OPENEYE NAME: N-(1-benzyl-4-piperidyl)-4-chloro-N-cyclopropyl-benzenesulfonamide
CAS Name: 4-chloro-N-cyclopropyl-N-[1-(phenylmethyl)-4-piperidinyl]benzenesulfonamide
IUPAC NAME: N-(1-benzylpiperidin-4-yl)-4-chloro-N-cyclopropylbenzenesulfonamide
SYSTEMATIC NAME: 4-chloranyl-N-cyclopropyl-N-[1-(phenylmethyl)piperidin-4-yl]benzenesulfonamide
MOLECULAR FORMULA: C21H25ClN2O2S
MOLECULAR WEIGHT: 404.9534
SMILES: C1CC1N(C2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 2,2-dimethyl-N-[4-(4-pyrazin-2-ylpyrazol-1-yl)phenyl]propanamide
CAS Name: 2,2-dimethyl-N-[4-[4-(2-pyrazinyl)-1-pyrazolyl]phenyl]propanamide
IUPAC NAME: 2,2-dimethyl-N-[4-(4-pyrazin-2-ylpyrazol-1-yl)phenyl]propanamide
SYSTEMATIC NAME: 2,2-dimethyl-N-[4-(4-pyrazin-2-ylpyrazol-1-yl)phenyl]propanamide
MOLECULAR FORMULA: C18H19N5O
MOLECULAR WEIGHT: 321.37636
SMILES: CC(C)(C)C(=O)NC1=CC=C(C=C1)N2C=C(C=N2)C3=NC=CN=C3
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Product OPENEYE NAME: 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxylic acid
CAS Name: 1-(4,6-dimethoxy-2-pyrimidinyl)-4-piperidinecarboxylic acid
IUPAC NAME: 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxylic acid
SYSTEMATIC NAME: 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxylic acid
MOLECULAR FORMULA: C12H17N3O4
MOLECULAR WEIGHT: 267.28108
SMILES: COC1=CC(=NC(=N1)N2CCC(CC2)C(=O)O)OC
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Product OPENEYE NAME: 2-methyl-4-[4-(2-pyridyl)piperazin-1-yl]-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridyl]pyrimidine
CAS Name: 2-methyl-4-[4-(2-pyridinyl)-1-piperazinyl]-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidine
IUPAC NAME: 2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6-[5-[4-(trifluoromethoxy)phenyl]pyridin-3-yl]pyrimidine
SYSTEMATIC NAME: 2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]pyrimidine
MOLECULAR FORMULA: C26H23F3N6O
MOLECULAR WEIGHT: 492.49563
SMILES: CC1=NC(=CC(=N1)N2CCN(CC2)C3=CC=CC=N3)C4=CN=CC(=C4)C5=CC=C(C=C5)OC(F)(F)F
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Product OPENEYE NAME: 1-benzyl-4-(4-chlorophenyl)pyrazole
CAS Name: 4-(4-chlorophenyl)-1-(phenylmethyl)pyrazole
IUPAC NAME: 1-benzyl-4-(4-chlorophenyl)pyrazole
SYSTEMATIC NAME: 4-(4-chlorophenyl)-1-(phenylmethyl)pyrazole
MOLECULAR FORMULA: C16H13ClN2
MOLECULAR WEIGHT: 268.74082
SMILES: C1=CC=C(C=C1)CN2C=C(C=N2)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 4-[5-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-nitro-phenyl]morpholine
CAS Name: 4-[5-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-2-nitrophenyl]morpholine
IUPAC NAME: 4-[5-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-nitrophenyl]morpholine
SYSTEMATIC NAME: 4-[5-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-nitro-phenyl]morpholine
MOLECULAR FORMULA: C21H21F3N6O7
MOLECULAR WEIGHT: 526.42265
SMILES: C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C4=C(C=C(C=C4[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
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Product OPENEYE NAME: 4-chloro-6-methyl-2-(m-tolyl)pyrimidine
CAS Name: 4-chloro-6-methyl-2-(3-methylphenyl)pyrimidine
IUPAC NAME: 4-chloro-6-methyl-2-(3-methylphenyl)pyrimidine
SYSTEMATIC NAME: 4-chloranyl-6-methyl-2-(3-methylphenyl)pyrimidine
MOLECULAR FORMULA: C12H11ClN2
MOLECULAR WEIGHT: 218.68214
SMILES: CC1=CC=CC(=C1)C2=NC(=CC(=N2)Cl)C
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Product OPENEYE NAME: N-[1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethyl]-3-chloro-benzamide
CAS Name: N-[1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethyl]-3-chlorobenzamide
IUPAC NAME: N-[1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethyl]-3-chlorobenzamide
SYSTEMATIC NAME: N-[1-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethyl]-3-chloranyl-benzamide
MOLECULAR FORMULA: C18H17BrClNO3
MOLECULAR WEIGHT: 410.68948
SMILES: CC(C1=CC2=C(C=C1Br)OCCCO2)NC(=O)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: N-(4-chlorophenyl)-2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
CAS Name: N-(4-chlorophenyl)-2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
IUPAC NAME: N-(4-chlorophenyl)-2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxidanylidene-1,3-thiazinane-6-carboxamide
MOLECULAR FORMULA: C19H16Cl3N3O2S
MOLECULAR WEIGHT: 456.77324
SMILES: CCN1C(=O)CC(SC1=NC2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N-[2-(6-nitro-1,3-benzoxazol-2-yl)phenyl]acetamide
CAS Name: N-[2-(6-nitro-1,3-benzoxazol-2-yl)phenyl]acetamide
IUPAC NAME: N-[2-(6-nitro-1,3-benzoxazol-2-yl)phenyl]acetamide
SYSTEMATIC NAME: N-[2-(6-nitro-1,3-benzoxazol-2-yl)phenyl]ethanamide
MOLECULAR FORMULA: C15H11N3O4
MOLECULAR WEIGHT: 297.26554
SMILES: CC(=O)NC1=CC=CC=C1C2=NC3=C(O2)C=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: N-[4-(hexylsulfamoyl)phenyl]-3,5-dinitro-benzamide
CAS Name: N-[4-(hexylsulfamoyl)phenyl]-3,5-dinitrobenzamide
IUPAC NAME: N-[4-(hexylsulfamoyl)phenyl]-3,5-dinitrobenzamide
SYSTEMATIC NAME: N-[4-(hexylsulfamoyl)phenyl]-3,5-dinitro-benzamide
MOLECULAR FORMULA: C19H22N4O7S
MOLECULAR WEIGHT: 450.46558
SMILES: CCCCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: N-[1-(3-hydroxyphenyl)ethylideneamino]-2-nitro-benzamide
CAS Name: N-[1-(3-hydroxyphenyl)ethylideneamino]-2-nitrobenzamide
IUPAC NAME: N-[1-(3-hydroxyphenyl)ethylideneamino]-2-nitrobenzamide
SYSTEMATIC NAME: N-[1-(3-hydroxyphenyl)ethylideneamino]-2-nitro-benzamide
MOLECULAR FORMULA: C15H13N3O4
MOLECULAR WEIGHT: 299.28142
SMILES: CC(=NNC(=O)C1=CC=CC=C1[N+](=O)[O-])C2=CC(=CC=C2)O
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Product OPENEYE NAME: 2-(nonylcarbamoyl)cyclohexanecarboxylic acid
CAS Name: 2-[(nonylamino)-oxomethyl]-1-cyclohexanecarboxylic acid
IUPAC NAME: 2-(nonylcarbamoyl)cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 2-(nonylcarbamoyl)cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C17H31NO3
MOLECULAR WEIGHT: 297.43294
SMILES: CCCCCCCCCNC(=O)C1CCCCC1C(=O)O
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Product OPENEYE NAME: N-(2-isopropylphenyl)-2-(m-tolyl)quinoline-4-carboxamide
CAS Name: 2-(3-methylphenyl)-N-(2-propan-2-ylphenyl)-4-quinolinecarboxamide
IUPAC NAME: 2-(3-methylphenyl)-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide
SYSTEMATIC NAME: 2-(3-methylphenyl)-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide
MOLECULAR FORMULA: C26H24N2O
MOLECULAR WEIGHT: 380.48156
SMILES: CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4C(C)C
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