Ethanethioic acid, S-[1-[2-(acetyloxy)ethyl]-2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-propen-1-yl] ester, hydrochloride (1:1)

CAS Registry Number®

28008-04-0
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CAS Name

Ethanethioic acid, S-[1-[2-(acetyloxy)ethyl]-2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-propen-1-yl] ester, hydrochloride (1:1)

Molecular Formula

C16H22N4O4S.ClH

Cite this Page

Ethanethioic acid, S-[1-[2-(acetyloxy)ethyl]-2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-propen-1-yl] ester, hydrochloride (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=28008-04-0 (retrieved 2024-09-19) (CAS RN: 28008-04-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H22N4O4S.ClH/c1-10(15(25-13(4)23)5-6-24-12(3)22)20(9-21)8-14-7-18-11(2)19-16(14)17;/h7,9H,5-6,8H2,1-4H3,(H2,17,18,19);1H

InChIKey

InChIKey=GVYHWIVMQYPBOQ-UHFFFAOYSA-N

SMILES

C(N(C(=C(CCOC(C)=O)SC(C)=O)C)C=O)C=1C(N)=NC(C)=NC1.Cl

Canonical SMILES

Cl.O=CN(C(=C(SC(=O)C)CCOC(=O)C)C)CC1=CN=C(N=C1N)C

Other Names for this Substance

  • Ethanethioic acid, S-[1-[2-(acetyloxy)ethyl]-2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-propen-1-yl] ester, hydrochloride (1:1)
  • Acetic acid, thio-, S-ester with N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide acetate (ester) monohydrochloride
  • Ethanethioic acid, S-[3-(acetyloxy)-1-[1-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]ethylidene]propyl] ester, monohydrochloride
  • Acetic acid, thio-, S-ester with N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide, acetate, hydrochloride
  • O,S-Diacetylthiamine hydrochloride

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