Chem
J-GLOBAL ID：200907039154969482   Nikkaji number：J1.258.970K

N-(2,2-Diphenylethyl)-2-[2-(4-imidazolyl)ethylamino]-5′-oxo-5′-(ethylamino)-5′-deoxyadenosine

N-(2,2-ジフェニルエチル)-2-[2-(4-イミダゾリル)エチルアミノ]-5′-オキソ-5′-(エチルアミノ)-5′-デオキシアデノシン
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： C31H35N9O4
Molecular formula furigana： C31-H35-N9-O4
Molecular weight： 597.680
InChI： InChI=1S/C31H35N9O4/c1-2-33-29(43)26-24(41)25(42)30(44-26)40-18-37-23-27(38-31(39-28(23)40)34-14-13-21-15-32-17-36-21)35-16-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15,17-18,22,24-26,30,41-42H,2,13-14,16H2,1H3,(H,32,36)(H,33,43)(H2,34,35,38,39)/t24-,25+,26-,30+/m0/s1
InChI key： NANAINBLSKKKCP-YRIIQKNPSA-N
SMILES： CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3c[nH]cn3)nc12
Systematic name  (3)：
  • N-(2,2-ジフェニルエチル)-2-[2-(4-イミダゾリル)エチルアミノ]-5′-オキソ-5′-(エチルアミノ)-5′-デオキシアデノシン
  • (2S,3S,4R,5R)-5-{6-[(2,2-ジフェニルエチル)アミノ]-2-{[2-(1H-イミダゾール-4-イル)エチル]アミノ}-9H-プリン-9-イル}-N-エチル-3,4-ジヒドロキシオキソラン-2-カルボキサミド
  • (2S,3S,4R,5R)-5-{6-[(2,2-diphenylethyl)amino]-2-{[2-(1H-imidazol-4-yl)ethyl]amino}-9H-purin-9-yl}-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Other name (1)：
  • N-(2,2-Diphenylethyl)-2-[2-(4-imidazolyl)ethylamino]-5′-oxo-5′-(ethylamino)-5′-deoxyadenosine
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