Chem
J-GLOBAL ID:200907077515458924   Nikkaji number:J2.129.340G

N-[2-(4-tert-Butylphenoxyacetylamino)-3-methyl-3H-imidazo[4,5-f]quinoline-5-yl]-2′-deoxyguanosine

N-[2-(4-tert-ブチルフェノキシアセチルアミノ)-3-メチル-3H-イミダゾ[4,5-f]キノリン-5-イル]-2′-デオキシグアノシン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C33H35N9O6
Molecular formula furigana: C33-H35-N9-O6
Molecular weight: 653.700
InChI: InChI=1S/C33H35N9O6/c1-33(2,3)17-7-9-18(10-8-17)47-15-24(45)37-32-38-27-19-6-5-11-34-26(19)20(12-21(27)41(32)4)36-31-39-29-28(30(46)40-31)35-16-42(29)25-13-22(44)23(14-43)48-25/h5-12,16,22-23,25,43-44H,13-15H2,1-4H3,(H,37,38,45)(H2,36,39,40,46)/t22-,23+,25+/m0/s1
InChI key: IUFVUSNCJIAQKX-JBRSBNLGSA-N
SMILES: Cn1c(NC(=O)COc2ccc(cc2)C(C)(C)C)nc2c1cc(Nc1nc3n(cnc3c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](CO)O1)c1ncccc21
Systematic name  (3):
  • N-[2-(4-tert-ブチルフェノキシアセチルアミノ)-3-メチル-3H-イミダゾ[4,5-f]キノリン-5-イル]-2′-デオキシグアノシン
  • 2-(4-tert-ブチルフェノキシ)-N-[5-({9-[(2R,4S,5R)-4-ヒドロキシ-5-(ヒドロキシメチル)オキソラン-2-イル]-6-オキソ-6,9-ジヒドロ-1H-プリン-2-イル}アミノ)-3-メチル-3H-イミダゾ[4,5-f]キノリン-2-イル]アセトアミド
  • 2-(4-tert-butylphenoxy)-N-[5-({9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-6,9-dihydro-1H-purin-2-yl}amino)-3-methyl-3H-imidazo[4,5-f]quinolin-2-yl]acetamide
Other name (1):
  • N-[2-(4-tert-Butylphenoxyacetylamino)-3-methyl-3H-imidazo[4,5-f]quinoline-5-yl]-2′-deoxyguanosine
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