Wednesday, August 10, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 5,5-diethyl-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione
CAS Name: 5,5-diethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
IUPAC NAME: 5,5-diethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5,5-diethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C10H16N2O3
MOLECULAR WEIGHT: 212.24564
SMILES: CCC1(C(=O)N(C(=O)N(C1=O)C)C)CC
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Product OPENEYE NAME: 4-allyl-2,4-diazaspiro[4.5]decane-1,3-dione
CAS Name: 4-prop-2-enyl-2,4-diazaspiro[4.5]decane-1,3-dione
IUPAC NAME: 4-prop-2-enyl-2,4-diazaspiro[4.5]decane-1,3-dione
SYSTEMATIC NAME: 4-prop-2-enyl-2,4-diazaspiro[4.5]decane-1,3-dione
MOLECULAR FORMULA: C11H16N2O2
MOLECULAR WEIGHT: 208.25694
SMILES: C=CCN1C(=O)NC(=O)C12CCCCC2
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Product OPENEYE NAME: 4-(2-hydroxyethyl)-2,4-diazaspiro[4.5]decane-1,3-dione
CAS Name: 4-(2-hydroxyethyl)-2,4-diazaspiro[4.5]decane-1,3-dione
IUPAC NAME: 4-(2-hydroxyethyl)-2,4-diazaspiro[4.5]decane-1,3-dione
SYSTEMATIC NAME: 4-(2-hydroxyethyl)-2,4-diazaspiro[4.5]decane-1,3-dione
MOLECULAR FORMULA: C10H16N2O3
MOLECULAR WEIGHT: 212.24564
SMILES: C1CCC2(CC1)C(=O)NC(=O)N2CCO
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Product OPENEYE NAME: 2-(hydroxymethyl)-2,4-diazaspiro[4.6]undecane-1,3-dione
CAS Name: 2-(hydroxymethyl)-2,4-diazaspiro[4.6]undecane-1,3-dione
IUPAC NAME: 2-(hydroxymethyl)-2,4-diazaspiro[4.6]undecane-1,3-dione
SYSTEMATIC NAME: 2-(hydroxymethyl)-2,4-diazaspiro[4.6]undecane-1,3-dione
MOLECULAR FORMULA: C10H16N2O3
MOLECULAR WEIGHT: 212.24564
SMILES: C1CCCC2(CC1)C(=O)N(C(=O)N2)CO
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Product OPENEYE NAME: 1-(4-chloro-1H-indol-3-yl)butan-2-amine
CAS Name: 1-(4-chloro-1H-indol-3-yl)-2-butanamine
IUPAC NAME: 1-(4-chloro-1H-indol-3-yl)butan-2-amine
SYSTEMATIC NAME: 1-(4-chloranyl-1H-indol-3-yl)butan-2-amine
MOLECULAR FORMULA: C12H15ClN2
MOLECULAR WEIGHT: 222.7139
SMILES: CCC(CC1=CNC2=C1C(=CC=C2)Cl)N
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Product OPENEYE NAME: 9-cyclopentylpurin-6-amine
CAS Name: 9-cyclopentyl-6-purinamine
IUPAC NAME: 9-cyclopentylpurin-6-amine
SYSTEMATIC NAME: 9-cyclopentylpurin-6-amine
MOLECULAR FORMULA: C10H13N5
MOLECULAR WEIGHT: 203.24372
SMILES: C1CCC(C1)N2C=NC3=C2N=CN=C3N
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Product OPENEYE NAME: 3,5-dimethyl-4-nitroso-1-phenyl-pyrazole
CAS Name: 3,5-dimethyl-4-nitroso-1-phenylpyrazole
IUPAC NAME: 3,5-dimethyl-4-nitroso-1-phenylpyrazole
SYSTEMATIC NAME: 3,5-dimethyl-4-nitroso-1-phenyl-pyrazole
MOLECULAR FORMULA: C11H11N3O
MOLECULAR WEIGHT: 201.22454
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)N=O
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Product OPENEYE NAME: 3-phenylbenzoic acid
CAS Name: 3-phenylbenzoic acid
IUPAC NAME: 3-phenylbenzoic acid
SYSTEMATIC NAME: 3-phenylbenzoic acid
MOLECULAR FORMULA: C13H10O2
MOLECULAR WEIGHT: 198.2173
SMILES: C1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)O
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Product OPENEYE NAME: 2-phenyl-1H-benzimidazole
CAS Name: 2-phenyl-1H-benzimidazole
IUPAC NAME: 2-phenyl-1H-benzimidazole
SYSTEMATIC NAME: 2-phenyl-1H-benzimidazole
MOLECULAR FORMULA: C13H10N2
MOLECULAR WEIGHT: 194.2319
SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2
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Product OPENEYE NAME: 2-(2-pyridyl)-1,3-benzothiazole
CAS Name: 2-(2-pyridinyl)-1,3-benzothiazole
IUPAC NAME: 2-pyridin-2-yl-1,3-benzothiazole
SYSTEMATIC NAME: 2-pyridin-2-yl-1,3-benzothiazole
MOLECULAR FORMULA: C12H8N2S
MOLECULAR WEIGHT: 212.27032
SMILES: C1=CC=C2C(=C1)N=C(S2)C3=CC=CC=N3
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Product OPENEYE NAME: methyl N-[1-(4-fluorophenyl)ethylamino]carbamate
CAS Name: N-[1-(4-fluorophenyl)ethylamino]carbamic acid methyl ester
IUPAC NAME: methyl N-[1-(4-fluorophenyl)ethylamino]carbamate
SYSTEMATIC NAME: methyl N-[1-(4-fluorophenyl)ethylamino]carbamate
MOLECULAR FORMULA: C10H13FN2O2
MOLECULAR WEIGHT: 212.220823
SMILES: CC(C1=CC=C(C=C1)F)NNC(=O)OC
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Product OPENEYE NAME: 3-(2-furyl)-1-phenyl-prop-2-en-1-one
CAS Name: 3-(2-furanyl)-1-phenyl-2-propen-1-one
IUPAC NAME: 3-(furan-2-yl)-1-phenylprop-2-en-1-one
SYSTEMATIC NAME: 3-(furan-2-yl)-1-phenyl-prop-2-en-1-one
MOLECULAR FORMULA: C13H10O2
MOLECULAR WEIGHT: 198.2173
SMILES: C1=CC=C(C=C1)C(=O)C=CC2=CC=CO2
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Product OPENEYE NAME: 2-fluoro-4,6-bis(trifluoromethyl)-1,3,5-triazine
CAS Name: 2-fluoro-4,6-bis(trifluoromethyl)-1,3,5-triazine
IUPAC NAME: 2-fluoro-4,6-bis(trifluoromethyl)-1,3,5-triazine
SYSTEMATIC NAME: 2-fluoranyl-4,6-bis(trifluoromethyl)-1,3,5-triazine
MOLECULAR FORMULA: C5F7N3
MOLECULAR WEIGHT: 235.062422
SMILES: C1(=NC(=NC(=N1)F)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: 1,3,5-triisopropylbenzene
CAS Name: 1,3,5-tri(propan-2-yl)benzene
IUPAC NAME: 1,3,5-tri(propan-2-yl)benzene
SYSTEMATIC NAME: 1,3,5-tri(propan-2-yl)benzene
MOLECULAR FORMULA: C15H24
MOLECULAR WEIGHT: 204.35106
SMILES: CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C
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Product OPENEYE NAME: 4,6-difluoro-N-phenyl-1,3,5-triazin-2-amine
CAS Name: 4,6-difluoro-N-phenyl-1,3,5-triazin-2-amine
IUPAC NAME: 4,6-difluoro-N-phenyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4,6-bis(fluoranyl)-N-phenyl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C9H6F2N4
MOLECULAR WEIGHT: 208.167546
SMILES: C1=CC=C(C=C1)NC2=NC(=NC(=N2)F)F
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Product OPENEYE NAME: 2,4-difluoro-6-phenylsulfanyl-1,3,5-triazine
CAS Name: 2,4-difluoro-6-(phenylthio)-1,3,5-triazine
IUPAC NAME: 2,4-difluoro-6-phenylsulfanyl-1,3,5-triazine
SYSTEMATIC NAME: 2,4-bis(fluoranyl)-6-phenylsulfanyl-1,3,5-triazine
MOLECULAR FORMULA: C9H5F2N3S
MOLECULAR WEIGHT: 225.217906
SMILES: C1=CC=C(C=C1)SC2=NC(=NC(=N2)F)F
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Product OPENEYE NAME: 4-acetyl-2,4-diazaspiro[4.6]undecane-1,3-dione
CAS Name: 4-acetyl-2,4-diazaspiro[4.6]undecane-1,3-dione
IUPAC NAME: 4-acetyl-2,4-diazaspiro[4.6]undecane-1,3-dione
SYSTEMATIC NAME: 4-ethanoyl-2,4-diazaspiro[4.6]undecane-1,3-dione
MOLECULAR FORMULA: C11H16N2O3
MOLECULAR WEIGHT: 224.25634
SMILES: CC(=O)N1C(=O)NC(=O)C12CCCCCC2
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