Chem
J-GLOBAL ID：201507083347055786   Nikkaji number：J3.392.434H

[Diphosphoric acid α-[2-[3-(2-methyl-4-amino-5-pyrimidinylmethyl)-4-methylthiazolium-5-yl]ethyl]]trianion

[二りん酸α-[2-[3-(2-メチル-4-アミノ-5-ピリミジニルメチル)-4-メチルチアゾリウム-5-イル]エチル]]トリアニオン
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： C12H16N3[N+]O4[O-]3P2S
Molecular formula furigana： C12-H16-N4-O7-P2-S
Molecular weight： 422.290
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)/p-2
InChI key： AYEKOFBPNLCAJY-UHFFFAOYSA-L
SMILES： Cc1c(CCOP(=O)([O-])OP(=O)([O-])[O-])sc[n+]1Cc1cnc(C)nc1N
Systematic name  (3)：
  • [二りん酸α-[2-[3-(2-メチル-4-アミノ-5-ピリミジニルメチル)-4-メチルチアゾリウム-5-イル]エチル]]トリアニオン
  • 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-{[オキシド(ホスホナトオキシ)ホスホリル]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-{[oxido(phosphonatooxy)phosphoryl]oxy}ethyl)-1,3-thiazol-3-ium
Other name (1)：
  • [Diphosphoric acid α-[2-[3-(2-methyl-4-amino-5-pyrimidinylmethyl)-4-methylthiazolium-5-yl]ethyl]]trianion
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