Chem
J-GLOBAL ID：200907010366506263   Nikkaji number：J2.459.369J

Diphosphoric acid α-[2-(trifluoromethyl)-4-amino-5-pyrimidinylmethyl] ester

二りん酸α-[2-(トリフルオロメチル)-4-アミノ-5-ピリミジニルメチル]
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： C6H8F3N3O7P2
Molecular formula furigana： C6-H8-F3-N3-O7-P2
Molecular weight： 353.087
InChI： InChI=1S/C6H8F3N3O7P2/c7-6(8,9)5-11-1-3(4(10)12-5)2-18-21(16,17)19-20(13,14)15/h1H,2H2,(H,16,17)(H2,10,11,12)(H2,13,14,15)
InChI key： UKNJCTHTCAKKNG-UHFFFAOYSA-N
SMILES： Nc1nc(ncc1COP(=O)(O)OP(=O)(O)O)C(F)(F)F
Systematic name  (3)：
  • 二りん酸α-[2-(トリフルオロメチル)-4-アミノ-5-ピリミジニルメチル]
  • [({[4-アミノ-2-(トリフルオロメチル)ピリミジン-5-イル]メトキシ}(ヒドロキシ)ホスホリル)オキシ]ホスホン酸
  • [({[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Other name (1)：
  • Diphosphoric acid α-[2-(trifluoromethyl)-4-amino-5-pyrimidinylmethyl] ester
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