Thursday, April 25, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (4-chloro-3-iodo-phenyl)methanol
CAS Name: (4-chloro-3-iodophenyl)methanol
IUPAC NAME: (4-chloro-3-iodophenyl)methanol
SYSTEMATIC NAME: (4-chloranyl-3-iodanyl-phenyl)methanol
MOLECULAR FORMULA: C7H6ClIO
MOLECULAR WEIGHT: 268.47941
SMILES: C1=CC(=C(C=C1CO)I)Cl
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Product OPENEYE NAME: [2-(4-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
CAS Name: [2-(4-chlorophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methanol
IUPAC NAME: [2-(4-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
SYSTEMATIC NAME: [2-(4-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
MOLECULAR FORMULA: C14H15ClN2O3
MOLECULAR WEIGHT: 294.7335
SMILES: C1C(OC(O1)(CN2C=CN=C2)C3=CC=C(C=C3)Cl)CO
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Product OPENEYE NAME: [(2R,4S)-2-(4-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
CAS Name: [(2R,4S)-2-(4-chlorophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methanol
IUPAC NAME: [(2R,4S)-2-(4-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
SYSTEMATIC NAME: [(2R,4S)-2-(4-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
MOLECULAR FORMULA: C14H15ClN2O3
MOLECULAR WEIGHT: 294.7335
SMILES: C1[C@@H](O[C@@](O1)(CN2C=CN=C2)C3=CC=C(C=C3)Cl)CO
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Product OPENEYE NAME: [2-(imidazol-1-ylmethyl)-2-(p-tolyl)-1,3-dioxolan-4-yl]methanol
CAS Name: [2-(1-imidazolylmethyl)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]methanol
IUPAC NAME: [2-(imidazol-1-ylmethyl)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]methanol
SYSTEMATIC NAME: [2-(imidazol-1-ylmethyl)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]methanol
MOLECULAR FORMULA: C15H18N2O3
MOLECULAR WEIGHT: 274.31502
SMILES: CC1=CC=C(C=C1)C2(OCC(O2)CO)CN3C=CN=C3
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Product OPENEYE NAME: 3-iodo-2,6-dimethyl-1H-pyridin-4-one
CAS Name: 3-iodo-2,6-dimethyl-1H-pyridin-4-one
IUPAC NAME: 3-iodo-2,6-dimethyl-1H-pyridin-4-one
SYSTEMATIC NAME: 3-iodanyl-2,6-dimethyl-1H-pyridin-4-one
MOLECULAR FORMULA: C7H8INO
MOLECULAR WEIGHT: 249.04899
SMILES: CC1=CC(=O)C(=C(N1)C)I
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Product OPENEYE NAME: 6-chloro-5-iodo-2-methyl-1H-pyrimidin-4-one
CAS Name: 6-chloro-5-iodo-2-methyl-1H-pyrimidin-4-one
IUPAC NAME: 6-chloro-5-iodo-2-methyl-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-chloranyl-5-iodanyl-2-methyl-1H-pyrimidin-4-one
MOLECULAR FORMULA: C5H4ClIN2O
MOLECULAR WEIGHT: 270.45553
SMILES: CC1=NC(=O)C(=C(N1)Cl)I
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Product OPENEYE NAME: 4-chloro-5-iodo-2-methylsulfanyl-pyrimidine
CAS Name: 4-chloro-5-iodo-2-(methylthio)pyrimidine
IUPAC NAME: 4-chloro-5-iodo-2-methylsulfanylpyrimidine
SYSTEMATIC NAME: 4-chloranyl-5-iodanyl-2-methylsulfanyl-pyrimidine
MOLECULAR FORMULA: C5H4ClIN2S
MOLECULAR WEIGHT: 286.52113
SMILES: CSC1=NC=C(C(=N1)Cl)I
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Product OPENEYE NAME: 4-methylthieno[2,3-d]pyrimidine
CAS Name: 4-methylthieno[2,3-d]pyrimidine
IUPAC NAME: 4-methylthieno[2,3-d]pyrimidine
SYSTEMATIC NAME: 4-methylthieno[2,3-d]pyrimidine
MOLECULAR FORMULA: C7H6N2S
MOLECULAR WEIGHT: 150.20094
SMILES: CC1=C2C=CSC2=NC=N1
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Product OPENEYE NAME: 2-methylsulfanylthieno[2,3-d]pyrimidine
CAS Name: 2-(methylthio)thieno[2,3-d]pyrimidine
IUPAC NAME: 2-methylsulfanylthieno[2,3-d]pyrimidine
SYSTEMATIC NAME: 2-methylsulfanylthieno[2,3-d]pyrimidine
MOLECULAR FORMULA: C7H6N2S2
MOLECULAR WEIGHT: 182.26594
SMILES: CSC1=NC=C2C=CSC2=N1
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Product OPENEYE NAME: 3-iodo-1H-pyridin-2-one
CAS Name: 3-iodo-1H-pyridin-2-one
IUPAC NAME: 3-iodo-1H-pyridin-2-one
SYSTEMATIC NAME: 3-iodanyl-1H-pyridin-2-one
MOLECULAR FORMULA: C5H4INO
MOLECULAR WEIGHT: 220.99583
SMILES: C1=CNC(=O)C(=C1)I
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Product OPENEYE NAME: furo[3,2-b]pyridin-2-yl(trimethyl)silane
CAS Name: 2-furo[3,2-b]pyridinyl(trimethyl)silane
IUPAC NAME: furo[3,2-b]pyridin-2-yl(trimethyl)silane
SYSTEMATIC NAME: furo[3,2-b]pyridin-2-yl(trimethyl)silane
MOLECULAR FORMULA: C10H13NOSi
MOLECULAR WEIGHT: 191.30182
SMILES: C[Si](C)(C)C1=CC2=C(O1)C=CC=N2
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Product OPENEYE NAME: 2-isopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CAS Name: 2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
IUPAC NAME: 2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SYSTEMATIC NAME: 2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
MOLECULAR FORMULA: C10H16N2
MOLECULAR WEIGHT: 164.24744
SMILES: CC(C)C1=NN2CCCCC2=C1
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Product OPENEYE NAME: 4-(methylamino)benzoyl chloride
CAS Name: 4-(methylamino)benzoyl chloride
IUPAC NAME: 4-(methylamino)benzoyl chloride
SYSTEMATIC NAME: 4-(methylamino)benzoyl chloride
MOLECULAR FORMULA: C8H8ClNO
MOLECULAR WEIGHT: 169.60822
SMILES: CNC1=CC=C(C=C1)C(=O)Cl
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Product OPENEYE NAME: 4-amino-3-methyl-benzoyl chloride
CAS Name: 4-amino-3-methylbenzoyl chloride
IUPAC NAME: 4-amino-3-methylbenzoyl chloride
SYSTEMATIC NAME: 4-azanyl-3-methyl-benzoyl chloride
MOLECULAR FORMULA: C8H8ClNO
MOLECULAR WEIGHT: 169.60822
SMILES: CC1=C(C=CC(=C1)C(=O)Cl)N
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Product OPENEYE NAME: 1-(3-cyano-2-thienyl)pyrrole-2-carboxylic acid
CAS Name: 1-(3-cyano-2-thiophenyl)-2-pyrrolecarboxylic acid
IUPAC NAME: 1-(3-cyanothiophen-2-yl)pyrrole-2-carboxylic acid
SYSTEMATIC NAME: 1-(3-cyanothiophen-2-yl)pyrrole-2-carboxylic acid
MOLECULAR FORMULA: C10H6N2O2S
MOLECULAR WEIGHT: 218.23184
SMILES: C1=CN(C(=C1)C(=O)O)C2=C(C=CS2)C#N
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Product OPENEYE NAME: 1-(3-cyano-2-thienyl)pyrrole-2-carbonyl azide
CAS Name: 2-(2-carbonazidoyl-1-pyrrolyl)-3-thiophenecarbonitrile
IUPAC NAME: 1-(3-cyanothiophen-2-yl)pyrrole-2-carbonyl azide
SYSTEMATIC NAME: 2-(2-carbonazidoylpyrrol-1-yl)thiophene-3-carbonitrile
MOLECULAR FORMULA: C10H5N5OS
MOLECULAR WEIGHT: 243.2446
SMILES: C1=CN(C(=C1)C(=O)N=[N+]=[N-])C2=C(C=CS2)C#N
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H7N3S
MOLECULAR WEIGHT: 189.23698
SMILES: C1=CN2C(=C1)N=C(C3=C2SC=C3)N
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Product OPENEYE NAME: (2E)-3-pyrrol-1-ylthiophene-2-carbaldehyde oxime
CAS Name: (2E)-3-(1-pyrrolyl)-2-thiophenecarboxaldehyde oxime
IUPAC NAME: (NE)-N-[(3-pyrrol-1-ylthiophen-2-yl)methylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[(3-pyrrol-1-ylthiophen-2-yl)methylidene]hydroxylamine
MOLECULAR FORMULA: C9H8N2OS
MOLECULAR WEIGHT: 192.23762
SMILES: C1=CN(C=C1)C2=C(SC=C2)/C=N/O
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Product OPENEYE NAME: 3-pyrrol-1-ylthiophene-2-carbonitrile
CAS Name: 3-(1-pyrrolyl)-2-thiophenecarbonitrile
IUPAC NAME: 3-pyrrol-1-ylthiophene-2-carbonitrile
SYSTEMATIC NAME: 3-pyrrol-1-ylthiophene-2-carbonitrile
MOLECULAR FORMULA: C9H6N2S
MOLECULAR WEIGHT: 174.22234
SMILES: C1=CN(C=C1)C2=C(SC=C2)C#N
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Product OPENEYE NAME: 3-(2-formylpyrrol-1-yl)thiophene-2-carbonitrile
CAS Name: 3-(2-formyl-1-pyrrolyl)-2-thiophenecarbonitrile
IUPAC NAME: 3-(2-formylpyrrol-1-yl)thiophene-2-carbonitrile
SYSTEMATIC NAME: 3-(2-methanoylpyrrol-1-yl)thiophene-2-carbonitrile
MOLECULAR FORMULA: C10H6N2OS
MOLECULAR WEIGHT: 202.23244
SMILES: C1=CN(C(=C1)C=O)C2=C(SC=C2)C#N
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