Chem
J-GLOBAL ID：200907044975050448   Nikkaji number：J2.441.401I

1-(2-Methyl-4-amino-5-pyrimidinylmethyl)-5-methyl-1H-1,2,3-triazole-4-ethanol diphosphoric acid

1-(2-メチル-4-アミノ-5-ピリミジニルメチル)-5-メチル-1H-1,2,3-トリアゾール-4-エタノール二りん酸
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： C11H18N6O7P2
Molecular formula furigana： C11-H18-N6-O7-P2
Molecular weight： 408.248
InChI： InChI=1S/C11H18N6O7P2/c1-7-10(3-4-23-26(21,22)24-25(18,19)20)15-16-17(7)6-9-5-13-8(2)14-11(9)12/h5H,3-4,6H2,1-2H3,(H,21,22)(H2,12,13,14)(H2,18,19,20)
InChI key： WHMXQEYVWLIXHH-UHFFFAOYSA-N
SMILES： Cc1c(CCOP(=O)(O)OP(=O)(O)O)nnn1Cc1cnc(C)nc1N
Systematic name  (4)：
  • 1-(2-メチル-4-アミノ-5-ピリミジニルメチル)-5-メチル-1H-1,2,3-トリアゾール-4-エタノール二りん酸
  • ピロりん酸P1-[2-[1-[(2-メチル-4-アミノピリミジン-5-イル)メチル]-5-メチル-1H-1,2,3-トリアゾール-4-イル]エチル]
  • {[(2-{1-[(4-アミノ-2-メチルピリミジン-5-イル)メチル]-5-メチル-1H-1,2,3-トリアゾール-4-イル}エトキシ)(ヒドロキシ)ホスホリル]オキシ}ホスホン酸
  • {[(2-{1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-methyl-1H-1,2,3-triazol-4-yl}ethoxy)(hydroxy)phosphoryl]oxy}phosphonic acid
Other name (2)：
  • 1-(2-Methyl-4-amino-5-pyrimidinylmethyl)-5-methyl-1H-1,2,3-triazole-4-ethanol diphosphoric acid
  • Pyrophosphoric acid P1-[2-[1-[(2-methyl-4-aminopyrimidine-5-yl)methyl]-5-methyl-1H-1,2,3-triazole-4-yl]ethyl] ester
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