Chem
J-GLOBAL ID:200907043456648755
Nikkaji number:J377.528C
2-[2-(3-Methylphenyl)ethoxy]adenosine
2-[2-(3-メチルフェニル)エトキシ]アデノシン
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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:
C19 H23 N5 O5
Molecular formula furigana:
C19-H23-N5-O5
Molecular weight:
401.423
InChI:
InChI=1S/C19H23N5O5/c1-10-3-2-4-11(7-10)5-6-28-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(8-25)29-18/h2-4,7,9,12,14-15,18,25-27H,5-6,8H2,1H3,(H2,20,22,23)/t12-,14-,15-,18-/m1/s1
InChI key:
XJKXWQWDRJJFSJ-SCFUHWHPSA-N
SMILES:
Cc1cccc(CCOc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1
Systematic name (3):
2-[2-(3-メチルフェニル)エトキシ]アデノシン
(2R,3R,4S,5R)-2-{6-アミノ-2-[2-(3-メチルフェニル)エトキシ]-9H-プリン-9-イル}-5-(ヒドロキシメチル)オキソラン-3,4-ジオール
(2R,3R,4S,5R)-2-{6-amino-2-[2-(3-methylphenyl)ethoxy]-9H-purin-9-yl}-5-(hydroxymethyl)oxolane-3,4-diol
Other name (1):
2-[2-(3-Methylphenyl)ethoxy]adenosine
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