Chem
J-GLOBAL ID：200907087820643885   Nikkaji number：J1.986.939C

N-Methyl-9-[(3S)-3-[(diethoxyphosphinyl)difluoromethyl]-5-(diethoxyphosphinyloxy)pentyl]-9H-purine-6-amine

N-メチル-9-[(3S)-3-[(ジエトキシホスフィニル)ジフルオロメチル]-5-(ジエトキシホスフィニルオキシ)ペンチル]-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： C20H35F2N5O7P2
Molecular formula furigana： C20-H35-F2-N5-O7-P2
Molecular weight： 557.472
InChI： InChI=1S/C20H35F2N5O7P2/c1-6-30-35(28,31-7-2)20(21,22)16(11-13-34-36(29,32-8-3)33-9-4)10-12-27-15-26-17-18(23-5)24-14-25-19(17)27/h14-16H,6-13H2,1-5H3,(H,23,24,25)/t16-/m0/s1
InChI key： PLIQJIHIRPMYCU-INIZCTEOSA-N
SMILES： CCOP(=O)(OCC)OCC[C@H](CCn1cnc2c(NC)ncnc12)C(F)(F)P(=O)(OCC)OCC
Systematic name  (3)：
  • N-メチル-9-[(3S)-3-[(ジエトキシホスフィニル)ジフルオロメチル]-5-(ジエトキシホスフィニルオキシ)ペンチル]-9H-プリン-6-アミン
  • ジエチル [(2S)-4-[(ジエトキシホスホリル)オキシ]-1,1-ジフルオロ-2-{2-[6-(メチルアミノ)-9H-プリン-9-イル]エチル}ブチル]ホスホナート
  • diethyl [(2S)-4-[(diethoxyphosphoryl)oxy]-1,1-difluoro-2-{2-[6-(methylamino)-9H-purin-9-yl]ethyl}butyl]phosphonate
Other name (1)：
  • N-Methyl-9-[(3S)-3-[(diethoxyphosphinyl)difluoromethyl]-5-(diethoxyphosphinyloxy)pentyl]-9H-purine-6-amine
Thsaurus map：
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