Friday, February 3, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 3-(2-methoxyphenyl)-2,5-dimethyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CAS Name: 3-(2-methoxyphenyl)-2,5-dimethyl-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-7-pyrazolo[1,5-a]pyrimidinamine
IUPAC NAME: 3-(2-methoxyphenyl)-2,5-dimethyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SYSTEMATIC NAME: 3-(2-methoxyphenyl)-2,5-dimethyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
MOLECULAR FORMULA: C21H28N5O+
MOLECULAR WEIGHT: 366.47992
SMILES: CC1=NC2=C(C(=NN2C(=C1)NCC[NH+]3CCCC3)C)C4=CC=CC=C4OC
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Product OPENEYE NAME: 3-(2-methoxyphenyl)-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CAS Name: 3-(2-methoxyphenyl)-2,5-dimethyl-N-[2-(1-pyrrolidinyl)ethyl]-7-pyrazolo[1,5-a]pyrimidinamine
IUPAC NAME: 3-(2-methoxyphenyl)-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SYSTEMATIC NAME: 3-(2-methoxyphenyl)-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
MOLECULAR FORMULA: C21H27N5O
MOLECULAR WEIGHT: 365.47198
SMILES: CC1=NC2=C(C(=NN2C(=C1)NCCN3CCCC3)C)C4=CC=CC=C4OC
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Product OPENEYE NAME: 3-(2-methoxyphenyl)-2,5-dimethyl-7-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CAS Name: 3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(2-pyrimidinyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine
IUPAC NAME: 3-(2-methoxyphenyl)-2,5-dimethyl-7-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
SYSTEMATIC NAME: 3-(2-methoxyphenyl)-2,5-dimethyl-7-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
MOLECULAR FORMULA: C23H25N7O
MOLECULAR WEIGHT: 415.4909
SMILES: CC1=NC2=C(C(=NN2C(=C1)N3CCN(CC3)C4=NC=CC=N4)C)C5=CC=CC=C5OC
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Product OPENEYE NAME: N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-(1-piperidylsulfonyl)benzamide
CAS Name: N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-(1-piperidinylsulfonyl)benzamide
IUPAC NAME: N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-piperidin-1-ylsulfonylbenzamide
SYSTEMATIC NAME: N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-piperidin-1-ylsulfonyl-benzamide
MOLECULAR FORMULA: C22H25N3O5S2
MOLECULAR WEIGHT: 475.581
SMILES: CN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)OC)OC
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Product OPENEYE NAME: N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-2-(2-thienyl)quinoline-4-carboxamide
CAS Name: N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-yl-4-quinolinecarboxamide
IUPAC NAME: N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SYSTEMATIC NAME: N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-yl-quinoline-4-carboxamide
MOLECULAR FORMULA: C24H16N4O4S
MOLECULAR WEIGHT: 456.47324
SMILES: C1COC2=C(O1)C=CC(=C2)C3=NN=C(O3)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CS6
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Product OPENEYE NAME: 2-chloro-5-nitro-N-(5-tetralin-6-yl-1,3,4-oxadiazol-2-yl)benzamide
CAS Name: 2-chloro-5-nitro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
IUPAC NAME: 2-chloro-5-nitro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SYSTEMATIC NAME: 2-chloranyl-5-nitro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
MOLECULAR FORMULA: C19H15ClN4O4
MOLECULAR WEIGHT: 398.7998
SMILES: C1CCC2=C(C1)C=CC(=C2)C3=NN=C(O3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl
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Product OPENEYE NAME: 2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CAS Name: 2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)thio]-N-[4-(trifluoromethoxy)phenyl]acetamide
IUPAC NAME: 2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SYSTEMATIC NAME: 2-[(3-ethyl-6-methyl-4-oxidanylidene-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide
MOLECULAR FORMULA: C18H18F3N3O3S2
MOLECULAR WEIGHT: 445.47903
SMILES: CCN1C(=O)C2=C(CC(S2)C)N=C1SCC(=O)NC3=CC=C(C=C3)OC(F)(F)F
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Product OPENEYE NAME: N-(3-methoxyphenyl)-2-[[3-(4-methoxyphenyl)-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CAS Name: N-(3-methoxyphenyl)-2-[[3-(4-methoxyphenyl)-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetamide
IUPAC NAME: N-(3-methoxyphenyl)-2-[[3-(4-methoxyphenyl)-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(3-methoxyphenyl)-2-[[3-(4-methoxyphenyl)-6-methyl-4-oxidanylidene-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C23H23N3O4S2
MOLECULAR WEIGHT: 469.57642
SMILES: CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=CC=C3)OC)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: 2-[1-(p-tolylmethyl)indol-3-yl]sulfanyl-N-(tetrahydrofuran-2-ylmethyl)acetamide
CAS Name: 2-[[1-[(4-methylphenyl)methyl]-3-indolyl]thio]-N-(2-oxolanylmethyl)acetamide
IUPAC NAME: 2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SYSTEMATIC NAME: 2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C23H26N2O2S
MOLECULAR WEIGHT: 394.52974
SMILES: CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)NCC4CCCO4
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Product OPENEYE NAME: N-[(2-bromophenyl)methyleneamino]-3-[(4-methoxybenzoyl)amino]benzamide
CAS Name: N-[(2-bromophenyl)methylideneamino]-3-[[(4-methoxyphenyl)-oxomethyl]amino]benzamide
IUPAC NAME: N-[(2-bromophenyl)methylideneamino]-3-[(4-methoxybenzoyl)amino]benzamide
SYSTEMATIC NAME: N-[(2-bromophenyl)methylideneamino]-3-[(4-methoxyphenyl)carbonylamino]benzamide
MOLECULAR FORMULA: C22H18BrN3O3
MOLECULAR WEIGHT: 452.30062
SMILES: COC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NN=CC3=CC=CC=C3Br
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Product OPENEYE NAME: 4-[4-(dimethylamino)anilino]-2-(2-methoxyethylamino)-4-oxo-butanoic acid
CAS Name: 4-[4-(dimethylamino)anilino]-2-(2-methoxyethylamino)-4-oxobutanoic acid
IUPAC NAME: 4-[4-(dimethylamino)anilino]-2-(2-methoxyethylamino)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[4-(dimethylamino)phenyl]amino]-2-(2-methoxyethylamino)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C15H23N3O4
MOLECULAR WEIGHT: 309.36082
SMILES: CN(C)C1=CC=C(C=C1)NC(=O)CC(C(=O)O)NCCOC
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Product OPENEYE NAME: [4-(4-cyanophenyl)phenyl] 2,3-diphenylquinoxaline-6-carboxylate
CAS Name: 2,3-diphenyl-6-quinoxalinecarboxylic acid [4-(4-cyanophenyl)phenyl] ester
IUPAC NAME: [4-(4-cyanophenyl)phenyl] 2,3-diphenylquinoxaline-6-carboxylate
SYSTEMATIC NAME: [4-(4-cyanophenyl)phenyl] 2,3-diphenylquinoxaline-6-carboxylate
MOLECULAR FORMULA: C34H21N3O2
MOLECULAR WEIGHT: 503.54944
SMILES: C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(=O)OC4=CC=C(C=C4)C5=CC=C(C=C5)C#N)N=C2C6=CC=CC=C6
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Product OPENEYE NAME: 3-allyl-2-allylimino-N-(4-fluorophenyl)-4-oxo-1,3-thiazine-6-carboxamide
CAS Name: N-(4-fluorophenyl)-4-oxo-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazine-6-carboxamide
IUPAC NAME: N-(4-fluorophenyl)-4-oxo-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazine-6-carboxamide
SYSTEMATIC NAME: N-(4-fluorophenyl)-4-oxidanylidene-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazine-6-carboxamide
MOLECULAR FORMULA: C17H16FN3O2S
MOLECULAR WEIGHT: 345.391243
SMILES: C=CCN=C1N(C(=O)C=C(S1)C(=O)NC2=CC=C(C=C2)F)CC=C
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Product OPENEYE NAME: N-(4-bromophenyl)-2-[3-[(4-chlorophenyl)methyl]-1-ethyl-5-oxo-2-thioxo-imidazolidin-4-yl]acetamide
CAS Name: N-(4-bromophenyl)-2-[3-[(4-chlorophenyl)methyl]-1-ethyl-5-oxo-2-sulfanylidene-4-imidazolidinyl]acetamide
IUPAC NAME: N-(4-bromophenyl)-2-[3-[(4-chlorophenyl)methyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
SYSTEMATIC NAME: N-(4-bromophenyl)-2-[3-[(4-chlorophenyl)methyl]-1-ethyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanamide
MOLECULAR FORMULA: C20H19BrClN3O2S
MOLECULAR WEIGHT: 480.80576
SMILES: CCN1C(=O)C(N(C1=S)CC2=CC=C(C=C2)Cl)CC(=O)NC3=CC=C(C=C3)Br
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