Sunday, June 24, 2012

All Chemical Compounds Information




Product OPENEYE NAME: cyclopropyl(pyrazin-2-yl)methanone
CAS Name: cyclopropyl(2-pyrazinyl)methanone
IUPAC NAME: cyclopropyl(pyrazin-2-yl)methanone
SYSTEMATIC NAME: cyclopropyl(pyrazin-2-yl)methanone
MOLECULAR FORMULA: C8H8N2O
MOLECULAR WEIGHT: 148.16192
SMILES: C1CC1C(=O)C2=NC=CN=C2
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Product OPENEYE NAME: 3-ethylsulfanyl-6-(4-methylpiperazin-1-yl)-1,2,4,5-tetrazine
CAS Name: 3-(ethylthio)-6-(4-methyl-1-piperazinyl)-1,2,4,5-tetrazine
IUPAC NAME: 3-ethylsulfanyl-6-(4-methylpiperazin-1-yl)-1,2,4,5-tetrazine
SYSTEMATIC NAME: 3-ethylsulfanyl-6-(4-methylpiperazin-1-yl)-1,2,4,5-tetrazine
MOLECULAR FORMULA: C9H16N6S
MOLECULAR WEIGHT: 240.32854
SMILES: CCSC1=NN=C(N=N1)N2CCN(CC2)C
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Product OPENEYE NAME: methyl (2S)-2-acetamido-6-[(6-methylsulfanyl-1,2,4,5-tetrazin-3-yl)amino]hexanoate
CAS Name: (2S)-2-acetamido-6-[[6-(methylthio)-1,2,4,5-tetrazin-3-yl]amino]hexanoic acid methyl ester
IUPAC NAME: methyl (2S)-2-acetamido-6-[(6-methylsulfanyl-1,2,4,5-tetrazin-3-yl)amino]hexanoate
SYSTEMATIC NAME: methyl (2S)-2-acetamido-6-[(6-methylsulfanyl-1,2,4,5-tetrazin-3-yl)amino]hexanoate
MOLECULAR FORMULA: C12H20N6O3S
MOLECULAR WEIGHT: 328.3906
SMILES: CC(=O)N[C@@H](CCCCNC1=NN=C(N=N1)SC)C(=O)OC
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Product OPENEYE NAME:
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IUPAC NAME:
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MOLECULAR FORMULA: C10H9N2S+
MOLECULAR WEIGHT: 189.25686
SMILES: CC1=N[S+]2C3=C1C=CC=C3C(=N2)C
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Product OPENEYE NAME:
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IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H11N2S2+
MOLECULAR WEIGHT: 235.34844
SMILES: CC1=N[S+]2C3=C(C=C(C=C13)SC)C(=N2)C
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Product OPENEYE NAME:
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IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H14N3S+
MOLECULAR WEIGHT: 232.32466
SMILES: CC1=N[S+]2C3=C(C=C(C=C13)N(C)C)C(=N2)C
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Product OPENEYE NAME: N-[(Z)-[1-amino-2-(3,4,5-trimethoxyphenyl)ethylidene]amino]-3,4,5-trimethoxy-benzamide
CAS Name: N-[(Z)-[1-amino-2-(3,4,5-trimethoxyphenyl)ethylidene]amino]-3,4,5-trimethoxybenzamide
IUPAC NAME: N-[(Z)-[1-amino-2-(3,4,5-trimethoxyphenyl)ethylidene]amino]-3,4,5-trimethoxybenzamide
SYSTEMATIC NAME: N-[(Z)-[1-azanyl-2-(3,4,5-trimethoxyphenyl)ethylidene]amino]-3,4,5-trimethoxy-benzamide
MOLECULAR FORMULA: C21H27N3O7
MOLECULAR WEIGHT: 433.45498
SMILES: COC1=CC(=CC(=C1OC)OC)C/C(=N/NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)/N
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Product OPENEYE NAME: N-[(Z)-[amino-(3,4,5-trimethoxyphenyl)methylene]amino]-2-(3,4,5-trimethoxyphenyl)acetamide
CAS Name: N-[(Z)-[amino-(3,4,5-trimethoxyphenyl)methylidene]amino]-2-(3,4,5-trimethoxyphenyl)acetamide
IUPAC NAME: N-[(Z)-[amino-(3,4,5-trimethoxyphenyl)methylidene]amino]-2-(3,4,5-trimethoxyphenyl)acetamide
SYSTEMATIC NAME: N-[(Z)-[azanyl-(3,4,5-trimethoxyphenyl)methylidene]amino]-2-(3,4,5-trimethoxyphenyl)ethanamide
MOLECULAR FORMULA: C21H27N3O7
MOLECULAR WEIGHT: 433.45498
SMILES: COC1=CC(=CC(=C1OC)OC)CC(=O)N/N=C(/C2=CC(=C(C(=C2)OC)OC)OC)\N
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Product OPENEYE NAME: (6Z)-6-[[[(1S,6R)-6-(hydroxymethyl)cyclohex-3-en-1-yl]amino]methylene]cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-6-[[[(1S,6R)-6-(hydroxymethyl)-1-cyclohex-3-enyl]amino]methylidene]-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-6-[[[(1S,6R)-6-(hydroxymethyl)cyclohex-3-en-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[[[(1S,6R)-6-(hydroxymethyl)cyclohex-3-en-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C14H17NO2
MOLECULAR WEIGHT: 231.29028
SMILES: C1C=CC[C@@H]([C@@H]1CO)N/C=C\2/C=CC=CC2=O
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Product OPENEYE NAME: (6Z)-6-[[[(1S,6S)-6-(hydroxymethyl)cyclohex-3-en-1-yl]amino]methylene]cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-6-[[[(1S,6S)-6-(hydroxymethyl)-1-cyclohex-3-enyl]amino]methylidene]-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-6-[[[(1S,6S)-6-(hydroxymethyl)cyclohex-3-en-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[[[(1S,6S)-6-(hydroxymethyl)cyclohex-3-en-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C14H17NO2
MOLECULAR WEIGHT: 231.29028
SMILES: C1C=CC[C@@H]([C@H]1CO)N/C=C\2/C=CC=CC2=O
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Product OPENEYE NAME: (6Z)-4-bromo-6-[[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]methylene]cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-4-bromo-6-[[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]methylidene]-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-4-bromo-6-[[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-4-bromanyl-6-[[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C14H18BrNO2
MOLECULAR WEIGHT: 312.20222
SMILES: C1CC[C@@H]([C@@H](C1)CO)N/C=C\2/C=C(C=CC2=O)Br
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