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.ClHCite 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=16145-28-1 (retrieved ) (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
Deleted or Replaced CAS Registry Numbers
16145-28-1