Sunday, January 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 6-amino-5-[2-(N-ethylanilino)acetyl]-1,3-dimethyl-pyrimidine-2,4-dione
CAS Name: 6-amino-5-[2-(N-ethylanilino)-1-oxoethyl]-1,3-dimethylpyrimidine-2,4-dione
IUPAC NAME: 6-amino-5-[2-(N-ethylanilino)acetyl]-1,3-dimethylpyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-5-[2-[ethyl(phenyl)amino]ethanoyl]-1,3-dimethyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C16H20N4O3
MOLECULAR WEIGHT: 316.355
SMILES: CCN(CC(=O)C1=C(N(C(=O)N(C1=O)C)C)N)C2=CC=CC=C2
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Product OPENEYE NAME: 2-(4-fluoroanilino)-1-(3-methyl-1-piperidyl)ethanone
CAS Name: 2-(4-fluoroanilino)-1-(3-methyl-1-piperidinyl)ethanone
IUPAC NAME: 2-(4-fluoroanilino)-1-(3-methylpiperidin-1-yl)ethanone
SYSTEMATIC NAME: 2-[(4-fluorophenyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
MOLECULAR FORMULA: C14H19FN2O
MOLECULAR WEIGHT: 250.311863
SMILES: CC1CCCN(C1)C(=O)CNC2=CC=C(C=C2)F
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Product OPENEYE NAME: 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CAS Name: 2-[4-(2-fluorophenyl)-1-piperazinyl]-N-(2-oxolanylmethyl)acetamide
IUPAC NAME: 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SYSTEMATIC NAME: 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C17H24FN3O2
MOLECULAR WEIGHT: 321.389763
SMILES: C1CC(OC1)CNC(=O)CN2CCN(CC2)C3=CC=CC=C3F
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Product OPENEYE NAME: 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CAS Name: 2-[4-(2-ethoxyphenyl)-1-piperazinyl]-N-(2-oxolanylmethyl)acetamide
IUPAC NAME: 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SYSTEMATIC NAME: 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C19H29N3O3
MOLECULAR WEIGHT: 347.45186
SMILES: CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)NCC3CCCO3
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Product OPENEYE NAME: 2-(3-acetylanilino)-N-cyclohexyl-N-methyl-acetamide
CAS Name: 2-(3-acetylanilino)-N-cyclohexyl-N-methylacetamide
IUPAC NAME: 2-(3-acetylanilino)-N-cyclohexyl-N-methylacetamide
SYSTEMATIC NAME: N-cyclohexyl-2-[(3-ethanoylphenyl)amino]-N-methyl-ethanamide
MOLECULAR FORMULA: C17H24N2O2
MOLECULAR WEIGHT: 288.38466
SMILES: CC(=O)C1=CC(=CC=C1)NCC(=O)N(C)C2CCCCC2
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Product OPENEYE NAME: 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CAS Name: 2-[4-(2-hydroxyphenyl)-1-piperazinyl]-N-(2-oxolanylmethyl)acetamide
IUPAC NAME: 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SYSTEMATIC NAME: 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C17H25N3O3
MOLECULAR WEIGHT: 319.3987
SMILES: C1CC(OC1)CNC(=O)CN2CCN(CC2)C3=CC=CC=C3O
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Product OPENEYE NAME: 2-[4-[(E)-cinnamyl]piperazin-1-yl]-1-(1-piperidyl)ethanone
CAS Name: 2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-1-(1-piperidinyl)ethanone
IUPAC NAME: 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1-piperidin-1-ylethanone
SYSTEMATIC NAME: 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1-piperidin-1-yl-ethanone
MOLECULAR FORMULA: C20H29N3O
MOLECULAR WEIGHT: 327.46376
SMILES: C1CCN(CC1)C(=O)CN2CCN(CC2)C/C=C/C3=CC=CC=C3
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Product OPENEYE NAME: 2-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]pyridine-3-carbonitrile
CAS Name: 2-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-3-pyridinecarbonitrile
IUPAC NAME: 2-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]pyridine-3-carbonitrile
SYSTEMATIC NAME: 2-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]pyridine-3-carbonitrile
MOLECULAR FORMULA: C17H20N4O
MOLECULAR WEIGHT: 296.3669
SMILES: CN(C)C(CNC1=C(C=CC=N1)C#N)C2=CC=CC=C2OC
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Product OPENEYE NAME: 1-(1-phenyltetrazol-5-yl)-4-[2-(2-pyridyl)ethyl]piperazine
CAS Name: 1-(1-phenyl-5-tetrazolyl)-4-[2-(2-pyridinyl)ethyl]piperazine
IUPAC NAME: 1-(1-phenyltetrazol-5-yl)-4-(2-pyridin-2-ylethyl)piperazine
SYSTEMATIC NAME: 1-(1-phenyl-1,2,3,4-tetrazol-5-yl)-4-(2-pyridin-2-ylethyl)piperazine
MOLECULAR FORMULA: C18H21N7
MOLECULAR WEIGHT: 335.40624
SMILES: C1CN(CCN1CCC2=CC=CC=N2)C3=NN=NN3C4=CC=CC=C4
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Product OPENEYE NAME: N-[2-(4-methylpiperazin-1-yl)-2-(2-thienyl)ethyl]pyrimidin-2-amine
CAS Name: N-[2-(4-methyl-1-piperazinyl)-2-thiophen-2-ylethyl]-2-pyrimidinamine
IUPAC NAME: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]pyrimidin-2-amine
SYSTEMATIC NAME: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]pyrimidin-2-amine
MOLECULAR FORMULA: C15H21N5S
MOLECULAR WEIGHT: 303.42574
SMILES: CN1CCN(CC1)C(CNC2=NC=CC=N2)C3=CC=CS3
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Product OPENEYE NAME: N-(1,3-benzothiazol-2-ylmethyl)pyrimidin-2-amine
CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-pyrimidinamine
IUPAC NAME: N-(1,3-benzothiazol-2-ylmethyl)pyrimidin-2-amine
SYSTEMATIC NAME: N-(1,3-benzothiazol-2-ylmethyl)pyrimidin-2-amine
MOLECULAR FORMULA: C12H10N4S
MOLECULAR WEIGHT: 242.2996
SMILES: C1=CC=C2C(=C1)N=C(S2)CNC3=NC=CC=N3
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Product OPENEYE NAME: 4-[[[5-(trifluoromethyl)-2-pyridyl]amino]methyl]benzamide
CAS Name: 4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzamide
IUPAC NAME: 4-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]benzamide
SYSTEMATIC NAME: 4-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]benzamide
MOLECULAR FORMULA: C14H12F3N3O
MOLECULAR WEIGHT: 295.25979
SMILES: C1=CC(=CC=C1CNC2=NC=C(C=C2)C(F)(F)F)C(=O)N
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Product OPENEYE NAME: 4-[[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]methyl]benzamide
CAS Name: 4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzamide
IUPAC NAME: 4-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]benzamide
SYSTEMATIC NAME: 4-[[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]benzamide
MOLECULAR FORMULA: C14H11ClF3N3O
MOLECULAR WEIGHT: 329.70485
SMILES: C1=CC(=CC=C1CNC2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)N
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Product OPENEYE NAME: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyrimidine
CAS Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]pyrimidine
IUPAC NAME: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyrimidine
SYSTEMATIC NAME: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyrimidine
MOLECULAR FORMULA: C16H17N3O2
MOLECULAR WEIGHT: 283.32508
SMILES: C1CC(N(C1)C2=NC=CC=N2)C3=CC4=C(C=C3)OCCO4
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