Chem
J-GLOBAL ID：200907009493830144   Nikkaji number：J1.499.258H

N-[(1R)-1-(Hydroxymethyl)propyl]-N′-(4-fluorobenzyl)-9-methyl-9H-purine-2,6-diamine

N-[(1R)-1-(ヒドロキシメチル)プロピル]-N′-(4-フルオロベンジル)-9-メチル-9H-プリン-2,6-ジアミン
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： C17H21FN6O
Molecular formula furigana： C17-H21-F-N6-O
Molecular weight： 344.394
InChI： InChI=1S/C17H21FN6O/c1-3-13(9-25)21-17-22-15(14-16(23-17)24(2)10-20-14)19-8-11-4-6-12(18)7-5-11/h4-7,10,13,25H,3,8-9H2,1-2H3,(H2,19,21,22,23)/t13-/m1/s1
InChI key： WOLCNSBXFGPLAL-CYBMUJFWSA-N
SMILES： CC[C@H](CO)Nc1nc(NCc2ccc(F)cc2)c2ncn(C)c2n1
Systematic name  (3)：
  • N-[(1R)-1-(ヒドロキシメチル)プロピル]-N′-(4-フルオロベンジル)-9-メチル-9H-プリン-2,6-ジアミン
  • (2R)-2-[(6-{[(4-フルオロフェニル)メチル]アミノ}-9-メチル-9H-プリン-2-イル)アミノ]ブタン-1-オール
  • (2R)-2-[(6-{[(4-fluorophenyl)methyl]amino}-9-methyl-9H-purin-2-yl)amino]butan-1-ol
Other name (1)：
  • N-[(1R)-1-(Hydroxymethyl)propyl]-N′-(4-fluorobenzyl)-9-methyl-9H-purine-2,6-diamine
Thsaurus map：
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