3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]thiazolium inner salt

CAS Registry Number®

495-23-8

CAS Name

3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]thiazolium inner salt

Molecular Formula

C12H17N4O4PS

Cite this Page

3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]thiazolium inner salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=495-23-8 (retrieved 2024-11-22) (CAS RN: 495-23-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)

InChIKey

InChIKey=HZSAJDVWZRBGIF-UHFFFAOYSA-N

SMILES

C([N+]=1C(C)=C(CCOP(=O)([O-])O)SC1)C=2C(N)=NC(C)=NC2

Canonical SMILES

O=P([O-])(O)OCCC=1SC=[N+](C1C)CC2=CN=C(N=C2N)C

Other Names for this Substance

  • Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-, inner salt
  • Thiamine, hydroxide, dihydrogen phosphate (ester), inner salt
  • 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]thiazolium inner salt

CAS INSIGHTSTM
Targeted protein degrader structure, illustration