Wednesday, August 10, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1-hydroxy-4-(nitrosomethylene)pyridine
CAS Name: 1-hydroxy-4-(nitrosomethylidene)pyridine
IUPAC NAME: 1-hydroxy-4-(nitrosomethylidene)pyridine
SYSTEMATIC NAME: 4-(nitrosomethylidene)-1-oxidanyl-pyridine
MOLECULAR FORMULA: C6H6N2O2
MOLECULAR WEIGHT: 138.12404
SMILES: C1=CN(C=CC1=CN=O)O
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Product OPENEYE NAME: (methyldisulfanyl)methylbenzene
CAS Name: (methyldisulfanyl)methylbenzene
IUPAC NAME: (methyldisulfanyl)methylbenzene
SYSTEMATIC NAME: (methyldisulfanyl)methylbenzene
MOLECULAR FORMULA: C8H10S2
MOLECULAR WEIGHT: 170.295
SMILES: CSSCC1=CC=CC=C1
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Product OPENEYE NAME: 4-(2-furyl)butan-2-one
CAS Name: 4-(2-furanyl)-2-butanone
IUPAC NAME: 4-(furan-2-yl)butan-2-one
SYSTEMATIC NAME: 4-(furan-2-yl)butan-2-one
MOLECULAR FORMULA: C8H10O2
MOLECULAR WEIGHT: 138.1638
SMILES: CC(=O)CCC1=CC=CO1
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Product OPENEYE NAME: 2-(2-nitrovinyl)furan
CAS Name: 2-(2-nitroethenyl)furan
IUPAC NAME: 2-(2-nitroethenyl)furan
SYSTEMATIC NAME: 2-(2-nitroethenyl)furan
MOLECULAR FORMULA: C6H5NO3
MOLECULAR WEIGHT: 139.1088
SMILES: C1=COC(=C1)C=C[N+](=O)[O-]
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Product OPENEYE NAME: 2-pentyl-4,5-dihydro-1H-imidazole
CAS Name: 2-pentyl-4,5-dihydro-1H-imidazole
IUPAC NAME: 2-pentyl-4,5-dihydro-1H-imidazole
SYSTEMATIC NAME: 2-pentyl-4,5-dihydro-1H-imidazole
MOLECULAR FORMULA: C8H16N2
MOLECULAR WEIGHT: 140.22604
SMILES: CCCCCC1=NCCN1
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Product OPENEYE NAME: 4-oxaspiro[4.5]decan-3-one
CAS Name: 4-oxaspiro[4.5]decan-3-one
IUPAC NAME: 4-oxaspiro[4.5]decan-3-one
SYSTEMATIC NAME: 4-oxaspiro[4.5]decan-3-one
MOLECULAR FORMULA: C9H14O2
MOLECULAR WEIGHT: 154.20626
SMILES: C1CCC2(CC1)CCC(=O)O2
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Product OPENEYE NAME: 1,2,3,4,5-pentamethylbenzene
CAS Name: 1,2,3,4,5-pentamethylbenzene
IUPAC NAME: 1,2,3,4,5-pentamethylbenzene
SYSTEMATIC NAME: 1,2,3,4,5-pentamethylbenzene
MOLECULAR FORMULA: C11H16
MOLECULAR WEIGHT: 148.24474
SMILES: CC1=CC(=C(C(=C1C)C)C)C
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Product OPENEYE NAME: 2,3,5-trimethylbenzene-1,4-diol
CAS Name: 2,3,5-trimethylbenzene-1,4-diol
IUPAC NAME: 2,3,5-trimethylbenzene-1,4-diol
SYSTEMATIC NAME: 2,3,5-trimethylbenzene-1,4-diol
MOLECULAR FORMULA: C9H12O2
MOLECULAR WEIGHT: 152.19038
SMILES: CC1=CC(=C(C(=C1O)C)C)O
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Product OPENEYE NAME: 2,3,5,6-tetrafluoroaniline
CAS Name: 2,3,5,6-tetrafluoroaniline
IUPAC NAME: 2,3,5,6-tetrafluoroaniline
SYSTEMATIC NAME: 2,3,5,6-tetrakis(fluoranyl)aniline
MOLECULAR FORMULA: C6H3F4N
MOLECULAR WEIGHT: 165.088333
SMILES: C1=C(C(=C(C(=C1F)F)N)F)F
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Product OPENEYE NAME: 3-methylbenzene-1,2,4,5-tetrol
CAS Name: 3-methylbenzene-1,2,4,5-tetrol
IUPAC NAME: 3-methylbenzene-1,2,4,5-tetrol
SYSTEMATIC NAME: 3-methylbenzene-1,2,4,5-tetrol
MOLECULAR FORMULA: C7H8O4
MOLECULAR WEIGHT: 156.13602
SMILES: CC1=C(C(=CC(=C1O)O)O)O
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Product OPENEYE NAME: 5-methyl-2-nitro-phenol
CAS Name: 5-methyl-2-nitrophenol
IUPAC NAME: 5-methyl-2-nitrophenol
SYSTEMATIC NAME: 5-methyl-2-nitro-phenol
MOLECULAR FORMULA: C7H7NO3
MOLECULAR WEIGHT: 153.13538
SMILES: CC1=CC(=C(C=C1)[N+](=O)[O-])O
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Product OPENEYE NAME: 2-fluoro-7H-purin-6-amine
CAS Name: 2-fluoro-7H-purin-6-amine
IUPAC NAME: 2-fluoro-7H-purin-6-amine
SYSTEMATIC NAME: 2-fluoranyl-7H-purin-6-amine
MOLECULAR FORMULA: C5H4FN5
MOLECULAR WEIGHT: 153.117163
SMILES: C1=NC2=C(N1)C(=NC(=N2)F)N
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Product OPENEYE NAME: 2-amino-2-phenyl-acetamide
CAS Name: 2-amino-2-phenylacetamide
IUPAC NAME: 2-amino-2-phenylacetamide
SYSTEMATIC NAME: 2-azanyl-2-phenyl-ethanamide
MOLECULAR FORMULA: C8H10N2O
MOLECULAR WEIGHT: 150.1778
SMILES: C1=CC=C(C=C1)C(C(=O)N)N
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Product OPENEYE NAME: 5-nitrofuran-2-carboxamide
CAS Name: 5-nitro-2-furancarboxamide
IUPAC NAME: 5-nitrofuran-2-carboxamide
SYSTEMATIC NAME: 5-nitrofuran-2-carboxamide
MOLECULAR FORMULA: C5H4N2O4
MOLECULAR WEIGHT: 156.09626
SMILES: C1=C(OC(=C1)[N+](=O)[O-])C(=O)N
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Product OPENEYE NAME: phenyl dihydrogen phosphate
CAS Name: phenyl dihydrogen phosphate
IUPAC NAME: phenyl dihydrogen phosphate
SYSTEMATIC NAME: phenyl dihydrogen phosphate
MOLECULAR FORMULA: C6H7O4P
MOLECULAR WEIGHT: 174.091141
SMILES: C1=CC=C(C=C1)OP(=O)(O)O
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Product OPENEYE NAME: 2-chloro-4,6-diethyl-1,3,5-triazine
CAS Name: 2-chloro-4,6-diethyl-1,3,5-triazine
IUPAC NAME: 2-chloro-4,6-diethyl-1,3,5-triazine
SYSTEMATIC NAME: 2-chloranyl-4,6-diethyl-1,3,5-triazine
MOLECULAR FORMULA: C7H10ClN3
MOLECULAR WEIGHT: 171.6274
SMILES: CCC1=NC(=NC(=N1)Cl)CC
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Product OPENEYE NAME: (3-hydroxyphenyl)urea
CAS Name: (3-hydroxyphenyl)urea
IUPAC NAME: (3-hydroxyphenyl)urea
SYSTEMATIC NAME: 1-(3-hydroxyphenyl)urea
MOLECULAR FORMULA: C7H8N2O2
MOLECULAR WEIGHT: 152.15062
SMILES: C1=CC(=CC(=C1)O)NC(=O)N
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Product OPENEYE NAME: (1S,2S)-2-phenoxycyclopropanamine
CAS Name: (1S,2S)-2-phenoxy-1-cyclopropanamine
IUPAC NAME: (1S,2S)-2-phenoxycyclopropan-1-amine
SYSTEMATIC NAME: (1S,2S)-2-phenoxycyclopropan-1-amine
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: C1[C@@H]([C@H]1OC2=CC=CC=C2)N
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