Chem
J-GLOBAL ID:200907098018438690   Nikkaji number:J1.614.357J

2-(3-Methoxybenzylamino)-6-(benzylthio)-9-(tetrahydro-2H-pyran-2-yl)-9H-purine

2-(3-メトキシベンジルアミノ)-6-(ベンジルチオ)-9-(テトラヒドロ-2H-ピラン-2-イル)-9H-プリン
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: C25H27N5O2S
Molecular formula furigana: C25-H27-N5-O2-S
Molecular weight: 461.580
InChI: InChI=1S/C25H27N5O2S/c1-31-20-11-7-10-19(14-20)15-26-25-28-23-22(27-17-30(23)21-12-5-6-13-32-21)24(29-25)33-16-18-8-3-2-4-9-18/h2-4,7-11,14,17,21H,5-6,12-13,15-16H2,1H3,(H,26,28,29)
InChI key: BBZPGCCTUSUYAP-UHFFFAOYSA-N
SMILES: COc1cccc(CNc2nc(SCc3ccccc3)c3ncn(C4CCCCO4)c3n2)c1
Systematic name  (4):
  • 2-(3-メトキシベンジルアミノ)-6-(ベンジルチオ)-9-(テトラヒドロ-2H-ピラン-2-イル)-9H-プリン
  • N-(3-メトキシベンジル)-6-(ベンジルチオ)-9-(テトラヒドロ-2H-ピラン-2-イル)-9H-プリン-2-アミン
  • 6-(ベンジルスルファニル)-N-[(3-メトキシフェニル)メチル]-9-(オキサン-2-イル)-9H-プリン-2-アミン
  • 6-(benzylsulfanyl)-N-[(3-methoxyphenyl)methyl]-9-(oxan-2-yl)-9H-purin-2-amine
Other name (2):
  • 2-(3-Methoxybenzylamino)-6-(benzylthio)-9-(tetrahydro-2H-pyran-2-yl)-9H-purine
  • N-(3-Methoxybenzyl)-6-(benzylthio)-9-(tetrahydro-2H-pyran-2-yl)-9H-purine-2-amine
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