Chem
J-GLOBAL ID:200907016244362668   Nikkaji number:J2.043.452J

1-Methyl-2-amino-9-[3-(hydroxymethyl)-4-[(19F)fluoro]butyl]-9H-purine-6(1H)-one

1-メチル-2-アミノ-9-[3-(ヒドロキシメチル)-4-[(19F)フルオロ]ブチル]-9H-プリン-6(1H)-オン
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: C11H16[19F]N5O2
Molecular formula furigana: C11-H16-F-N5-O2
Molecular weight: 269.280
InChI: InChI=1S/C11H16FN5O2/c1-16-10(19)8-9(15-11(16)13)17(6-14-8)3-2-7(4-12)5-18/h6-7,18H,2-5H2,1H3,(H2,13,15)/i12+0
InChI key: NJTKEVGROAHYLG-YLLVCCFGSA-N
SMILES: Cn1c(N)nc2n(CCC(CO)C[19F])cnc2c1=O
Systematic name  (3):
  • 1-メチル-2-アミノ-9-[3-(ヒドロキシメチル)-4-[(19F)フルオロ]ブチル]-9H-プリン-6(1H)-オン
  • 2-アミノ-9-{3-[(19F)フルオロメチル]-4-ヒドロキシブチル}-1-メチル-6,9-ジヒドロ-1H-プリン-6-オン
  • 2-amino-9-{3-[(19F)fluoromethyl]-4-hydroxybutyl}-1-methyl-6,9-dihydro-1H-purin-6-one
Other name (1):
  • 1-Methyl-2-amino-9-[3-(hydroxymethyl)-4-[(19F)fluoro]butyl]-9H-purine-6(1H)-one
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