Chem
J-GLOBAL ID：200907056942418863   Nikkaji number：J1.831.123B

[[2-[3-[(2-Methyl-4-aminopyrimidine-5-yl)methyl]-4-methylthiazolium-5-yl]ethoxy]phosphonyl]methylphosphonic acid

[[2-[3-[(2-メチル-4-アミノピリミジン-5-イル)メチル]-4-メチルチアゾリウム-5-イル]エトキシ]ホスホニル]メチルホスホン酸
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： C13H21N3[N+]O6P2S
Molecular formula furigana： C13-H21-N4-O6-P2-S
Molecular weight： 423.340
InChI： InChI=1S/C13H20N4O6P2S/c1-9-12(3-4-23-25(21,22)8-24(18,19)20)26-7-17(9)6-11-5-15-10(2)16-13(11)14/h5,7H,3-4,6,8H2,1-2H3,(H4-,14,15,16,18,19,20,21,22)/p+1
InChI key： NSFCGDWNWBEOER-UHFFFAOYSA-O
SMILES： Cc1c(CCOP(=O)(O)CP(=O)(O)O)sc[n+]1Cc1cnc(C)nc1N
Systematic name  (3)：
  • [[2-[3-[(2-メチル-4-アミノピリミジン-5-イル)メチル]-4-メチルチアゾリウム-5-イル]エトキシ]ホスホニル]メチルホスホン酸
  • 3-[(4-アミノ-2-メチルピリミジン-5-イル)メチル]-5-(2-{[ヒドロキシ(ホスホノメチル)ホスホリル]オキシ}エチル)-4-メチル-1,3-チアゾール-3-イウム
  • 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonomethyl)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
Other name (1)：
  • [[2-[3-[(2-Methyl-4-aminopyrimidine-5-yl)methyl]-4-methylthiazolium-5-yl]ethoxy]phosphonyl]methylphosphonic acid
Thsaurus map：
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