Chem
J-GLOBAL ID：200907073185090814   Nikkaji number：J1.694.082H

2-Acetyl-3-[(4-amino-2-methylpyrimidine-5-yl)methyl]-4-methyl-5-[2-(phosphonooxyoxylatophosphinyloxy)ethyl]thiazole-3-ium

2-アセチル-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
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： C14H20N3[N+]O7[O-]P2S
Molecular formula furigana： C14-H20-N4-O8-P2-S
Molecular weight： 466.340
InChI： InChI=1S/C14H20N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6H,4-5,7H2,1-3H3,(H4-,15,16,17,20,21,22,23,24)
InChI key： GYRGKLZCJRVYRV-UHFFFAOYSA-N
SMILES： CC(=O)c1sc(CCOP(=O)([O-])OP(=O)(O)O)c(C)[n+]1Cc1cnc(C)nc1N
Systematic name  (3)：
  • 2-アセチル-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
  • 2-アセチル-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
  • 2-acetyl-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-{2-[(phosphono phosphonato)oxy]ethyl}-1,3-thiazol-3-ium
Other name (1)：
  • 2-Acetyl-3-[(4-amino-2-methylpyrimidine-5-yl)methyl]-4-methyl-5-[2-(phosphonooxyoxylatophosphinyloxy)ethyl]thiazole-3-ium
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