Chem
J-GLOBAL ID：201107062619299675   Nikkaji number：J2.940.147K

3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxyphosphinatooxy)ethyl]thiazolium

3-[(4-アミノ-2-メチル-5-ピリミジニル)メチル]-4-メチル-5-[2-(ホスホノオキシホスフィナトオキシ)エチル]チアゾリウム
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： C12H18N3[N+]O6[O-]P2S
Molecular formula furigana： C12-H18-N4-O7-P2-S
Molecular weight： 424.300
InChI： InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)
InChI key： AYEKOFBPNLCAJY-UHFFFAOYSA-N
SMILES： Cc1c(CCOP(=O)([O-])OP(=O)(O)O)sc[n+]1Cc1cnc(C)nc1N
Systematic name  (4)：
  • 3-[(4-アミノ-2-メチル-5-ピリミジニル)メチル]-4-メチル-5-[2-(ホスホノオキシホスフィナトオキシ)エチル]チアゾリウム
  • 3-[(4-アミノ-2-メチルピリミジン-5-イル)メチル]-4-メチル-5-[2-(ホスホノオキシオキシラトホスフィニルオキシ)エチル]チアゾール-3-イウム
  • 3-[(4-アミノ-2-メチルピリミジン-5-イル)メチル]-4-メチル-5-{2-[(ホスホノ ホスホナト)オキシ]エチル}-1,3-チアゾール-3-イウム
  • 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-{2-[(phosphono phosphonato)oxy]ethyl}-1,3-thiazol-3-ium
Other name (2)：
  • 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxyphosphinatooxy)ethyl]thiazolium
  • 3-[(4-Amino-2-methylpyrimidine-5-yl)methyl]-4-methyl-5-[2-(phosphonooxyoxylatophosphinyloxy)ethyl]thiazole-3-ium
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