Carbonic acid, 4-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(ethoxycarbonyl)thio]-3-penten-1-yl ethyl ester, hydrochloride (1:1)

CAS Registry Number®

616-96-6

CAS Name

Carbonic acid, 4-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(ethoxycarbonyl)thio]-3-penten-1-yl ethyl ester, hydrochloride (1:1)

Molecular Formula

C18H26N4O6S.ClH

Cite this Page

Carbonic acid, 4-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(ethoxycarbonyl)thio]-3-penten-1-yl ethyl ester, hydrochloride (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=616-96-6 (retrieved 2024-12-04) (CAS RN: 616-96-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    121-123 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H26N4O6S.ClH/c1-5-26-17(24)28-8-7-15(29-18(25)27-6-2)12(3)22(11-23)10-14-9-20-13(4)21-16(14)19;/h9,11H,5-8,10H2,1-4H3,(H2,19,20,21);1H

InChIKey

InChIKey=LIOJHMDIELWKFZ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Carbonic acid, 4-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(ethoxycarbonyl)thio]-3-penten-1-yl ethyl ester, hydrochloride (1:1)
  • Carbonic acid, thio-, O-ethyl ester, S-ester with N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide ethyl carbonate (ester), monohydrochloride
  • Carbonic acid, 4-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(ethoxycarbonyl)thio]-3-pentenyl ethyl ester, monohydrochloride
  • O,S-Bis(ethoxycarbonyl)thiamine hydrochloride
  • Dicethiamine hydrochloride

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Deleted or Replaced CAS Registry Numbers

16145-28-1

CAS INSIGHTSTM
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