Chem
J-GLOBAL ID：200907043823987383   Nikkaji number：J813.008F

(S)-2-[[6-(4-Aminobenzylamino)-9-[2-(3-thienyl)ethyl]-9H-purin-2-yl]amino]-3-methyl-1-butanol

(S)-2-[[6-(4-アミノベンジルアミノ)-9-[2-(3-チエニル)エチル]-9H-プリン-2-イル]アミノ]-3-メチル-1-ブタノール
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： C23H29N7OS
Molecular formula furigana： C23-H29-N7-O-S
Molecular weight： 451.590
InChI： InChI=1S/C23H29N7OS/c1-15(2)19(12-31)27-23-28-21(25-11-16-3-5-18(24)6-4-16)20-22(29-23)30(14-26-20)9-7-17-8-10-32-13-17/h3-6,8,10,13-15,19,31H,7,9,11-12,24H2,1-2H3,(H2,25,27,28,29)/t19-/m1/s1
InChI key： MPMIAGJGQUDVPV-LJQANCHMSA-N
SMILES： CC(C)[C@@H](CO)Nc1nc(NCc2ccc(N)cc2)c2ncn(CCc3ccsc3)c2n1
Systematic name  (3)：
  • (S)-2-[[6-(4-アミノベンジルアミノ)-9-[2-(3-チエニル)エチル]-9H-プリン-2-イル]アミノ]-3-メチル-1-ブタノール
  • (2S)-2-[(6-{[(4-アミノフェニル)メチル]アミノ}-9-[2-(チオフェン-3-イル)エチル]-9H-プリン-2-イル)アミノ]-3-メチルブタン-1-オール
  • (2S)-2-[(6-{[(4-aminophenyl)methyl]amino}-9-[2-(thiophen-3-yl)ethyl]-9H-purin-2-yl)amino]-3-methylbutan-1-ol
Other name (1)：
  • (S)-2-[[6-(4-Aminobenzylamino)-9-[2-(3-thienyl)ethyl]-9H-purin-2-yl]amino]-3-methyl-1-butanol
Thsaurus map：
Thesaurus Map

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