Thursday, July 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N,3-bis(trimethylsilyl)-5-trimethylsilyloxy-imidazole-4-carboxamide
CAS Name: N,3-bis(trimethylsilyl)-5-trimethylsilyloxy-4-imidazolecarboxamide
IUPAC NAME: N,3-bis(trimethylsilyl)-5-trimethylsilyloxyimidazole-4-carboxamide
SYSTEMATIC NAME: N,3-bis(trimethylsilyl)-5-trimethylsilyloxy-imidazole-4-carboxamide
MOLECULAR FORMULA: C13H29N3O2Si3
MOLECULAR WEIGHT: 343.64476
SMILES: C[Si](C)(C)NC(=O)C1=C(N=CN1[Si](C)(C)C)O[Si](C)(C)C
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Product OPENEYE NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(4-carbamoyl-5-hydroxy-imidazol-1-yl)tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(4-carbamoyl-5-hydroxy-1-imidazolyl)-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(4-carbamoyl-5-hydroxyimidazol-1-yl)oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(4-aminocarbonyl-5-oxidanyl-imidazol-1-yl)oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C18H23N3O11
MOLECULAR WEIGHT: 457.38872
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C=NC(=C2O)C(=O)N)OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(5-carbamoyl-4-hydroxy-imidazol-1-yl)tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(5-carbamoyl-4-hydroxy-1-imidazolyl)-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(5-carbamoyl-4-hydroxyimidazol-1-yl)oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(5-aminocarbonyl-4-oxidanyl-imidazol-1-yl)oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C18H23N3O11
MOLECULAR WEIGHT: 457.38872
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C=NC(=C2C(=O)N)O)OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: 5-carbamoyl-1,3-bis[(2R,3R,4R,5R)-3,4-diacetoxy-5-(acetoxymethyl)tetrahydrofuran-2-yl]imidazol-3-ium-4-olate
CAS Name: 5-carbamoyl-1,3-bis[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)-2-oxolanyl]-4-imidazol-3-iumolate
IUPAC NAME: 5-carbamoyl-1,3-bis[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]imidazol-3-ium-4-olate
SYSTEMATIC NAME: 5-aminocarbonyl-1,3-bis[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]imidazol-3-ium-4-olate
MOLECULAR FORMULA: C26H33N3O16
MOLECULAR WEIGHT: 643.55072
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=[N+](C(=C2C(=O)N)[O-])[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: [(2R,3R,4R,5R)-3,4-diacetoxy-5-[5-carbamoyl-3-[(2R,3R,4R,5R)-3,4-diacetoxy-5-(acetoxymethyl)tetrahydrofuran-2-yl]-4-hydroxy-imidazol-3-ium-1-yl]tetrahydrofuran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[5-carbamoyl-3-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)-2-oxolanyl]-4-hydroxy-1-imidazol-3-iumyl]-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[5-carbamoyl-3-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-4-hydroxyimidazol-3-ium-1-yl]oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[5-aminocarbonyl-3-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-4-oxidanyl-imidazol-3-ium-1-yl]oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C26H34N3O16+
MOLECULAR WEIGHT: 644.55866
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=[N+](C(=C2C(=O)N)O)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: [(3R,4R,5R,6R)-4,5-diacetoxy-6-[5-carbamoyl-4-hydroxy-3-[(2R,3R,4R,5R)-3,4,5-triacetoxytetrahydropyran-2-yl]imidazol-3-ium-1-yl]tetrahydropyran-3-yl] acetate
CAS Name: acetic acid [(3R,4R,5R,6R)-4,5-diacetyloxy-6-[5-carbamoyl-4-hydroxy-3-[(2R,3R,4R,5R)-3,4,5-triacetyloxy-2-oxanyl]-1-imidazol-3-iumyl]-3-oxanyl] ester
IUPAC NAME: [(3R,4R,5R,6R)-4,5-diacetyloxy-6-[5-carbamoyl-4-hydroxy-3-[(2R,3R,4R,5R)-3,4,5-triacetyloxyoxan-2-yl]imidazol-3-ium-1-yl]oxan-3-yl] acetate
SYSTEMATIC NAME: [(3R,4R,5R,6R)-4,5-diacetyloxy-6-[5-aminocarbonyl-4-oxidanyl-3-[(2R,3R,4R,5R)-3,4,5-triacetyloxyoxan-2-yl]imidazol-3-ium-1-yl]oxan-3-yl] ethanoate
MOLECULAR FORMULA: C26H34N3O16+
MOLECULAR WEIGHT: 644.55866
SMILES: CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)N2C=[N+](C(=C2C(=O)N)O)[C@H]3[C@@H]([C@@H]([C@@H](CO3)OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: 5-carbamoyl-1-[(2S,3S,4R,5S,6S)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]imidazol-3-ium-4-olate
CAS Name: 5-carbamoyl-1-[(2S,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]-4-imidazol-3-iumolate
IUPAC NAME: 5-carbamoyl-1-[(2S,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]imidazol-3-ium-4-olate
SYSTEMATIC NAME: 5-aminocarbonyl-1-[(2S,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]imidazol-3-ium-4-olate
MOLECULAR FORMULA: C32H41N3O20
MOLECULAR WEIGHT: 787.67604
SMILES: CC(=O)OC[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)N2C=[N+](C(=C2C(=O)N)[O-])[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: [(2S,3S,4R,5S,6S)-3,4,5-triacetoxy-6-[5-carbamoyl-4-hydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]imidazol-3-ium-1-yl]tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2S,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-[5-carbamoyl-4-hydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]-1-imidazol-3-iumyl]-2-oxanyl]methyl ester
IUPAC NAME: [(2S,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-[5-carbamoyl-4-hydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]imidazol-3-ium-1-yl]oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2S,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-[5-aminocarbonyl-4-oxidanyl-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]imidazol-3-ium-1-yl]oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C32H42N3O20+
MOLECULAR WEIGHT: 788.68398
SMILES: CC(=O)OC[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)N2C=[N+](C(=C2C(=O)N)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: [(2R,3S,4S,5R,6R)-3,4,5-triacetoxy-6-[5-carbamoyl-4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]imidazol-3-ium-1-yl]tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[5-carbamoyl-4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]-1-imidazol-3-iumyl]-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[5-carbamoyl-4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]imidazol-3-ium-1-yl]oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[5-aminocarbonyl-4-oxidanyl-3-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]imidazol-3-ium-1-yl]oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C32H42N3O20+
MOLECULAR WEIGHT: 788.68398
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)N2C=[N+](C(=C2C(=O)N)O)[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: 4-methyl-N-(1-phenylvinyl)aniline
CAS Name: 4-methyl-N-(1-phenylethenyl)aniline
IUPAC NAME: 4-methyl-N-(1-phenylethenyl)aniline
SYSTEMATIC NAME: 4-methyl-N-(1-phenylethenyl)aniline
MOLECULAR FORMULA: C15H15N
MOLECULAR WEIGHT: 209.2863
SMILES: CC1=CC=C(C=C1)NC(=C)C2=CC=CC=C2
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Product OPENEYE NAME: N-[(E)-1-phenylprop-1-enyl]aniline
CAS Name: N-[(E)-1-phenylprop-1-enyl]aniline
IUPAC NAME: N-[(E)-1-phenylprop-1-enyl]aniline
SYSTEMATIC NAME: N-[(E)-1-phenylprop-1-enyl]aniline
MOLECULAR FORMULA: C15H15N
MOLECULAR WEIGHT: 209.2863
SMILES: C/C=C(\C1=CC=CC=C1)/NC2=CC=CC=C2
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Product OPENEYE NAME: N-[1-(4-chlorophenyl)vinyl]aniline
CAS Name: N-[1-(4-chlorophenyl)ethenyl]aniline
IUPAC NAME: N-[1-(4-chlorophenyl)ethenyl]aniline
SYSTEMATIC NAME: N-[1-(4-chlorophenyl)ethenyl]aniline
MOLECULAR FORMULA: C14H12ClN
MOLECULAR WEIGHT: 229.70478
SMILES: C=C(C1=CC=C(C=C1)Cl)NC2=CC=CC=C2
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Product OPENEYE NAME: 4-methyl-N-[(E)-1-phenylprop-1-enyl]aniline
CAS Name: 4-methyl-N-[(E)-1-phenylprop-1-enyl]aniline
IUPAC NAME: 4-methyl-N-[(E)-1-phenylprop-1-enyl]aniline
SYSTEMATIC NAME: 4-methyl-N-[(E)-1-phenylprop-1-enyl]aniline
MOLECULAR FORMULA: C16H17N
MOLECULAR WEIGHT: 223.31288
SMILES: C/C=C(\C1=CC=CC=C1)/NC2=CC=C(C=C2)C
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Product OPENEYE NAME: 3-methyl-1,6-diphenyl-3,4-dihydropyridin-2-one
CAS Name: 3-methyl-1,6-diphenyl-3,4-dihydropyridin-2-one
IUPAC NAME: 3-methyl-1,6-diphenyl-3,4-dihydropyridin-2-one
SYSTEMATIC NAME: 3-methyl-1,6-diphenyl-3,4-dihydropyridin-2-one
MOLECULAR FORMULA: C18H17NO
MOLECULAR WEIGHT: 263.33368
SMILES: CC1CC=C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 3,5-dimethyl-1,6-diphenyl-3,4-dihydropyridin-2-one
CAS Name: 3,5-dimethyl-1,6-diphenyl-3,4-dihydropyridin-2-one
IUPAC NAME: 3,5-dimethyl-1,6-diphenyl-3,4-dihydropyridin-2-one
SYSTEMATIC NAME: 3,5-dimethyl-1,6-diphenyl-3,4-dihydropyridin-2-one
MOLECULAR FORMULA: C19H19NO
MOLECULAR WEIGHT: 277.36026
SMILES: CC1CC(=C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C
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Product OPENEYE NAME: 3,5-dimethyl-6-phenyl-1-(p-tolyl)-3,4-dihydropyridin-2-one
CAS Name: 3,5-dimethyl-1-(4-methylphenyl)-6-phenyl-3,4-dihydropyridin-2-one
IUPAC NAME: 3,5-dimethyl-1-(4-methylphenyl)-6-phenyl-3,4-dihydropyridin-2-one
SYSTEMATIC NAME: 3,5-dimethyl-1-(4-methylphenyl)-6-phenyl-3,4-dihydropyridin-2-one
MOLECULAR FORMULA: C20H21NO
MOLECULAR WEIGHT: 291.38684
SMILES: CC1CC(=C(N(C1=O)C2=CC=C(C=C2)C)C3=CC=CC=C3)C
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Product OPENEYE NAME: 1,4,6-triphenyl-3,4-dihydropyridin-2-one
CAS Name: 1,4,6-triphenyl-3,4-dihydropyridin-2-one
IUPAC NAME: 1,4,6-triphenyl-3,4-dihydropyridin-2-one
SYSTEMATIC NAME: 1,4,6-triphenyl-3,4-dihydropyridin-2-one
MOLECULAR FORMULA: C23H19NO
MOLECULAR WEIGHT: 325.40306
SMILES: C1C(C=C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 5-methyl-1,4,6-triphenyl-3,4-dihydropyridin-2-one
CAS Name: 5-methyl-1,4,6-triphenyl-3,4-dihydropyridin-2-one
IUPAC NAME: 5-methyl-1,4,6-triphenyl-3,4-dihydropyridin-2-one
SYSTEMATIC NAME: 5-methyl-1,4,6-triphenyl-3,4-dihydropyridin-2-one
MOLECULAR FORMULA: C24H21NO
MOLECULAR WEIGHT: 339.42964
SMILES: CC1=C(N(C(=O)CC1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 4,6-diphenyl-1-(p-tolyl)-3,4-dihydropyridin-2-one
CAS Name: 1-(4-methylphenyl)-4,6-diphenyl-3,4-dihydropyridin-2-one
IUPAC NAME: 1-(4-methylphenyl)-4,6-diphenyl-3,4-dihydropyridin-2-one
SYSTEMATIC NAME: 1-(4-methylphenyl)-4,6-diphenyl-3,4-dihydropyridin-2-one
MOLECULAR FORMULA: C24H21NO
MOLECULAR WEIGHT: 339.42964
SMILES: CC1=CC=C(C=C1)N2C(=O)CC(C=C2C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 5-methyl-4,6-diphenyl-1-(p-tolyl)-3,4-dihydropyridin-2-one
CAS Name: 5-methyl-1-(4-methylphenyl)-4,6-diphenyl-3,4-dihydropyridin-2-one
IUPAC NAME: 5-methyl-1-(4-methylphenyl)-4,6-diphenyl-3,4-dihydropyridin-2-one
SYSTEMATIC NAME: 5-methyl-1-(4-methylphenyl)-4,6-diphenyl-3,4-dihydropyridin-2-one
MOLECULAR FORMULA: C25H23NO
MOLECULAR WEIGHT: 353.45622
SMILES: CC1=CC=C(C=C1)N2C(=O)CC(C(=C2C3=CC=CC=C3)C)C4=CC=CC=C4
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Product OPENEYE NAME: 1,6-diphenyl-2,3-dihydropyridin-4-one
CAS Name: 1,6-diphenyl-2,3-dihydropyridin-4-one
IUPAC NAME: 1,6-diphenyl-2,3-dihydropyridin-4-one
SYSTEMATIC NAME: 1,6-diphenyl-2,3-dihydropyridin-4-one
MOLECULAR FORMULA: C17H15NO
MOLECULAR WEIGHT: 249.3071
SMILES: C1CN(C(=CC1=O)C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 5-methyl-1,6-diphenyl-2,3-dihydropyridin-4-one
CAS Name: 5-methyl-1,6-diphenyl-2,3-dihydropyridin-4-one
IUPAC NAME: 5-methyl-1,6-diphenyl-2,3-dihydropyridin-4-one
SYSTEMATIC NAME: 5-methyl-1,6-diphenyl-2,3-dihydropyridin-4-one
MOLECULAR FORMULA: C18H17NO
MOLECULAR WEIGHT: 263.33368
SMILES: CC1=C(N(CCC1=O)C2=CC=CC=C2)C3=CC=CC=C3
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