Thursday, October 25, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-(2-furylmethyl)-3-(2,4,6-trimethylphenyl)thiourea
CAS Name: 1-(2-furanylmethyl)-3-(2,4,6-trimethylphenyl)thiourea
IUPAC NAME: 1-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenyl)thiourea
SYSTEMATIC NAME: 1-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenyl)thiourea
MOLECULAR FORMULA: C15H18N2OS
MOLECULAR WEIGHT: 274.38122
SMILES: CC1=CC(=C(C(=C1)C)NC(=S)NCC2=CC=CO2)C
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Product OPENEYE NAME: 1-(4-bromo-2-methyl-pyrazol-3-yl)pyrrole-2,5-dione
CAS Name: 1-(4-bromo-2-methyl-3-pyrazolyl)pyrrole-2,5-dione
IUPAC NAME: 1-(4-bromo-2-methylpyrazol-3-yl)pyrrole-2,5-dione
SYSTEMATIC NAME: 1-(4-bromanyl-2-methyl-pyrazol-3-yl)pyrrole-2,5-dione
MOLECULAR FORMULA: C8H6BrN3O2
MOLECULAR WEIGHT: 256.05614
SMILES: CN1C(=C(C=N1)Br)N2C(=O)C=CC2=O
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Product OPENEYE NAME: N-(4-bromo-2-methyl-pyrazol-3-yl)-2-(1-piperidyl)acetamide
CAS Name: N-(4-bromo-2-methyl-3-pyrazolyl)-2-(1-piperidinyl)acetamide
IUPAC NAME: N-(4-bromo-2-methylpyrazol-3-yl)-2-piperidin-1-ylacetamide
SYSTEMATIC NAME: N-(4-bromanyl-2-methyl-pyrazol-3-yl)-2-piperidin-1-yl-ethanamide
MOLECULAR FORMULA: C11H17BrN4O
MOLECULAR WEIGHT: 301.18288
SMILES: CN1C(=C(C=N1)Br)NC(=O)CN2CCCCC2
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Product OPENEYE NAME: N-(4-bromo-2-methyl-pyrazol-3-yl)-2-(p-tolylsulfanyl)acetamide
CAS Name: N-(4-bromo-2-methyl-3-pyrazolyl)-2-[(4-methylphenyl)thio]acetamide
IUPAC NAME: N-(4-bromo-2-methylpyrazol-3-yl)-2-(4-methylphenyl)sulfanylacetamide
SYSTEMATIC NAME: N-(4-bromanyl-2-methyl-pyrazol-3-yl)-2-(4-methylphenyl)sulfanyl-ethanamide
MOLECULAR FORMULA: C13H14BrN3OS
MOLECULAR WEIGHT: 340.23876
SMILES: CC1=CC=C(C=C1)SCC(=O)NC2=C(C=NN2C)Br
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Product OPENEYE NAME: ethyl 4-(carbamothioylamino)benzoate
CAS Name: 4-(carbamothioylamino)benzoic acid ethyl ester
IUPAC NAME: ethyl 4-(carbamothioylamino)benzoate
SYSTEMATIC NAME: ethyl 4-(carbamothioylamino)benzoate
MOLECULAR FORMULA: C10H12N2O2S
MOLECULAR WEIGHT: 224.27948
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=S)N
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Product OPENEYE NAME: 3,5-dichloro-N-(2-methylpyrazol-3-yl)benzamide
CAS Name: 3,5-dichloro-N-(2-methyl-3-pyrazolyl)benzamide
IUPAC NAME: 3,5-dichloro-N-(2-methylpyrazol-3-yl)benzamide
SYSTEMATIC NAME: 3,5-bis(chloranyl)-N-(2-methylpyrazol-3-yl)benzamide
MOLECULAR FORMULA: C11H9Cl2N3O
MOLECULAR WEIGHT: 270.11466
SMILES: CN1C(=CC=N1)NC(=O)C2=CC(=CC(=C2)Cl)Cl
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Product OPENEYE NAME: 2-(4-bromo-2-methyl-pyrazol-3-yl)isoindoline-1,3-dione
CAS Name: 2-(4-bromo-2-methyl-3-pyrazolyl)isoindole-1,3-dione
IUPAC NAME: 2-(4-bromo-2-methylpyrazol-3-yl)isoindole-1,3-dione
SYSTEMATIC NAME: 2-(4-bromanyl-2-methyl-pyrazol-3-yl)isoindole-1,3-dione
MOLECULAR FORMULA: C12H8BrN3O2
MOLECULAR WEIGHT: 306.11482
SMILES: CN1C(=C(C=N1)Br)N2C(=O)C3=CC=CC=C3C2=O
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Product OPENEYE NAME: N'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-2-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-ylsulfanyl)acetohydrazide
CAS Name: N'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylthio)acetohydrazide
IUPAC NAME: N'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetohydrazide
SYSTEMATIC NAME: N'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanehydrazide
MOLECULAR FORMULA: C20H16F6N4O3S3
MOLECULAR WEIGHT: 570.551459
SMILES: C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC(=O)NNS(=O)(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: 1-benzyl-3-(4-chlorophenyl)-1-methyl-thiourea
CAS Name: 3-(4-chlorophenyl)-1-methyl-1-(phenylmethyl)thiourea
IUPAC NAME: 1-benzyl-3-(4-chlorophenyl)-1-methylthiourea
SYSTEMATIC NAME: 3-(4-chlorophenyl)-1-methyl-1-(phenylmethyl)thiourea
MOLECULAR FORMULA: C15H15ClN2S
MOLECULAR WEIGHT: 290.811
SMILES: CN(CC1=CC=CC=C1)C(=S)NC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 2,2-dimethyl-N'-[2-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]propanehydrazide
CAS Name: 2,2-dimethyl-N'-[1-oxo-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylthio)ethyl]propanehydrazide
IUPAC NAME: 2,2-dimethyl-N'-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]propanehydrazide
SYSTEMATIC NAME: 2,2-dimethyl-N'-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanoyl]propanehydrazide
MOLECULAR FORMULA: C17H22N4O2S2
MOLECULAR WEIGHT: 378.51218
SMILES: CC(C)(C)C(=O)NNC(=O)CSC1=NC=NC2=C1C3=C(S2)CCCC3
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Product OPENEYE NAME: N'-acetyl-2-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carbohydrazide
CAS Name: N'-acetyl-2-(2,5-dimethyl-1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
IUPAC NAME: N'-acetyl-2-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
SYSTEMATIC NAME: 2-(2,5-dimethylpyrrol-1-yl)-N'-ethanoyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
MOLECULAR FORMULA: C17H21N3O2S
MOLECULAR WEIGHT: 331.43254
SMILES: CC1=CC=C(N1C2=C(C3=C(S2)CCCC3)C(=O)NNC(=O)C)C
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Product OPENEYE NAME: 6,7-dimethoxy-4-(2-pyridylsulfanyl)quinazoline
CAS Name: 6,7-dimethoxy-4-(2-pyridinylthio)quinazoline
IUPAC NAME: 6,7-dimethoxy-4-pyridin-2-ylsulfanylquinazoline
SYSTEMATIC NAME: 6,7-dimethoxy-4-pyridin-2-ylsulfanyl-quinazoline
MOLECULAR FORMULA: C15H13N3O2S
MOLECULAR WEIGHT: 299.34762
SMILES: COC1=C(C=C2C(=C1)C(=NC=N2)SC3=CC=CC=N3)OC
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Product OPENEYE NAME: N-(1-benzyl-4-piperidyl)-6,7-dimethoxy-quinazolin-4-amine
CAS Name: 6,7-dimethoxy-N-[1-(phenylmethyl)-4-piperidinyl]-4-quinazolinamine
IUPAC NAME: N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine
SYSTEMATIC NAME: 6,7-dimethoxy-N-[1-(phenylmethyl)piperidin-4-yl]quinazolin-4-amine
MOLECULAR FORMULA: C22H26N4O2
MOLECULAR WEIGHT: 378.46744
SMILES: COC1=C(C=C2C(=C1)C(=NC=N2)NC3CCN(CC3)CC4=CC=CC=C4)OC
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Product OPENEYE NAME: 4-[(4-bromo-2-methyl-pyrazol-3-yl)amino]-4-oxo-but-2-enoic acid
CAS Name: 4-[(4-bromo-2-methyl-3-pyrazolyl)amino]-4-oxo-2-butenoic acid
IUPAC NAME: 4-[(4-bromo-2-methylpyrazol-3-yl)amino]-4-oxobut-2-enoic acid
SYSTEMATIC NAME: 4-[(4-bromanyl-2-methyl-pyrazol-3-yl)amino]-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C8H8BrN3O3
MOLECULAR WEIGHT: 274.07142
SMILES: CN1C(=C(C=N1)Br)NC(=O)C=CC(=O)O
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Product OPENEYE NAME: N-(4-bromo-2-methyl-pyrazol-3-yl)-2,2-dimethyl-propanamide
CAS Name: N-(4-bromo-2-methyl-3-pyrazolyl)-2,2-dimethylpropanamide
IUPAC NAME: N-(4-bromo-2-methylpyrazol-3-yl)-2,2-dimethylpropanamide
SYSTEMATIC NAME: N-(4-bromanyl-2-methyl-pyrazol-3-yl)-2,2-dimethyl-propanamide
MOLECULAR FORMULA: C9H14BrN3O
MOLECULAR WEIGHT: 260.13096
SMILES: CC(C)(C)C(=O)NC1=C(C=NN1C)Br
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