Chem
J-GLOBAL ID：200907075642581988   Nikkaji number：J1.986.937G

N-Methyl-9-[(3S)-3-(phosphonodifluoromethyl)-5-(phosphonooxy)pentyl]-9H-purine-6-amine

N-メチル-9-[(3S)-3-(ホスホノジフルオロメチル)-5-(ホスホノオキシ)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： C12H19F2N5O7P2
Molecular formula furigana： C12-H19-F2-N5-O7-P2
Molecular weight： 445.256
InChI： InChI=1S/C12H19F2N5O7P2/c1-15-10-9-11(17-6-16-10)19(7-18-9)4-2-8(3-5-26-28(23,24)25)12(13,14)27(20,21)22/h6-8H,2-5H2,1H3,(H,15,16,17)(H2,20,21,22)(H2,23,24,25)/t8-/m0/s1
InChI key： UHLZSGKMHHDDJO-QMMMGPOBSA-N
SMILES： CNc1ncnc2n(CC[C@@H](CCOP(=O)(O)O)C(F)(F)P(=O)(O)O)cnc12
Systematic name  (3)：
  • N-メチル-9-[(3S)-3-(ホスホノジフルオロメチル)-5-(ホスホノオキシ)ペンチル]-9H-プリン-6-アミン
  • [(3S)-4,4-ジフルオロ-3-{2-[6-(メチルアミノ)-9H-プリン-9-イル]エチル}-4-ホスホノブトキシ]ホスホン酸
  • [(3S)-4,4-difluoro-3-{2-[6-(methylamino)-9H-purin-9-yl]ethyl}-4-phosphonobutoxy]phosphonic acid
Other name (1)：
  • N-Methyl-9-[(3S)-3-(phosphonodifluoromethyl)-5-(phosphonooxy)pentyl]-9H-purine-6-amine
Thsaurus map：
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