Chem
J-GLOBAL ID：200907005792038095   Nikkaji number：J2.042.563F

8-(2-Chloro-3,4,5-trimethoxybenzyl)-9-(4-pentynyl)-9H-purine-6-amine

8-(2-クロロ-3,4,5-トリメトキシベンジル)-9-(4-ペンチニル)-9H-プリン-6-アミン
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： C20H22ClN5O3
Molecular formula furigana： C20-H22-CL-N5-O3
Molecular weight： 415.880
InChI： InChI=1S/C20H22ClN5O3/c1-5-6-7-8-26-14(25-16-19(22)23-11-24-20(16)26)10-12-9-13(27-2)17(28-3)18(29-4)15(12)21/h1,9,11H,6-8,10H2,2-4H3,(H2,22,23,24)
InChI key： WUJFGZAAFADPSF-UHFFFAOYSA-N
SMILES： COc1cc(Cc2nc3c(N)ncnc3n2CCCC#C)c(Cl)c(OC)c1OC
Systematic name  (3)：
  • 8-(2-クロロ-3,4,5-トリメトキシベンジル)-9-(4-ペンチニル)-9H-プリン-6-アミン
  • 8-[(2-クロロ-3,4,5-トリメトキシフェニル)メチル]-9-(ペンタ-4-イン-1-イル)-9H-プリン-6-アミン
  • 8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-9-(pent-4-yn-1-yl)-9H-purin-6-amine
Other name (1)：
  • 8-(2-Chloro-3,4,5-trimethoxybenzyl)-9-(4-pentynyl)-9H-purine-6-amine
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