Chem
J-GLOBAL ID：200907051320727638   Nikkaji number：J626.440I

N-(3-Iodobenzyl)adenosine

N-(3-ヨードベンジル)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： C17H18IN5O4
Molecular formula furigana： C17-H18-I-N5-O4
Molecular weight： 483.266
InChI： InChI=1S/C17H18IN5O4/c18-10-3-1-2-9(4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1
InChI key： TWLWIJNPUVZDOB-LSCFUAHRSA-N
SMILES： OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Systematic name  (3)：
  • N-(3-ヨードベンジル)アデノシン
  • (2R,3S,4R,5R)-2-(ヒドロキシメチル)-5-(6-{[(3-ヨードフェニル)メチル]アミノ}-9H-プリン-9-イル)オキソラン-3,4-ジオール
  • (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)oxolane-3,4-diol
Other name (1)：
  • N-(3-Iodobenzyl)adenosine
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