Chem
J-GLOBAL ID：200907070500358384   Nikkaji number：J1.588.900D

3-(2-Methoxy-4-amino-5-pyrimidinylmethyl)-5-[2-[(dihydroxyphosphinyloxy)hydroxyphosphinyloxy]ethyl]-4-methylthiazole-3-ium

3-(2-メトキシ-4-アミノ-5-ピリミジニルメチル)-5-[2-[(ジヒドロキシホスフィニルオキシ)ヒドロキシホスフィニルオキシ]エチル]-4-メチルチアゾール-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： C12H19N3[N+]O8P2S
Molecular formula furigana： C12-H19-N4-O8-P2-S
Molecular weight： 441.310
InChI： InChI=1S/C12H18N4O8P2S/c1-8-10(3-4-23-26(20,21)24-25(17,18)19)27-7-16(8)6-9-5-14-12(22-2)15-11(9)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1
InChI key： PWBCVHDHRGCQHM-UHFFFAOYSA-O
SMILES： COc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1
Systematic name  (3)：
  • 3-(2-メトキシ-4-アミノ-5-ピリミジニルメチル)-5-[2-[(ジヒドロキシホスフィニルオキシ)ヒドロキシホスフィニルオキシ]エチル]-4-メチルチアゾール-3-イウム
  • 3-[(4-アミノ-2-メトキシピリミジン-5-イル)メチル]-5-(2-{[ヒドロキシ(ホスホノオキシ)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-methoxypyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
Other name (1)：
  • 3-(2-Methoxy-4-amino-5-pyrimidinylmethyl)-5-[2-[(dihydroxyphosphinyloxy)hydroxyphosphinyloxy]ethyl]-4-methylthiazole-3-ium
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