Chem
J-GLOBAL ID:200907045356512727
Nikkaji number:J2.042.565B
2-Fluoro-8-(2-chloro-3,4,5-trimethoxybenzyl)-9-(4-pentynyl)-9H-purine-6-amine
2-フルオロ-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
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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:
C20 H21 ClFN5 O3
Molecular formula furigana:
C20-H21-CL-F-N5-O3
Molecular weight:
433.870
InChI:
InChI=1S/C20H21ClFN5O3/c1-5-6-7-8-27-13(24-15-18(23)25-20(22)26-19(15)27)10-11-9-12(28-2)16(29-3)17(30-4)14(11)21/h1,9H,6-8,10H2,2-4H3,(H2,23,25,26)
InChI key:
KCIOVTSUEXGUFJ-UHFFFAOYSA-N
SMILES:
COc1cc(Cc2nc3c(N)nc(F)nc3n2CCCC#C)c(Cl)c(OC)c1OC
Systematic name (3):
2-フルオロ-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]-2-フルオロ-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]-2-fluoro-9-(pent-4-yn-1-yl)-9H-purin-6-amine
Other name (1):
2-Fluoro-8-(2-chloro-3,4,5-trimethoxybenzyl)-9-(4-pentynyl)-9H-purine-6-amine
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