Benzenecarbothioic acid, S-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(benzoyloxy)ethyl]-1-propen-1-yl] ester, hydrochloride (1:1)
CAS Registry Number®
2105-44-4
CAS Name
Benzenecarbothioic acid, S-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(benzoyloxy)ethyl]-1-propen-1-yl] ester, hydrochloride (1:1)Molecular Formula
C26H26N4O4S.ClHCite this Page
Benzenecarbothioic acid, S-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(benzoyloxy)ethyl]-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=2105-44-4 (retrieved ) (CAS RN: 2105-44-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C26H26N4O4S.ClH/c1-18(30(17-31)16-22-15-28-19(2)29-24(22)27)23(35-26(33)21-11-7-4-8-12-21)13-14-34-25(32)20-9-5-3-6-10-20;/h3-12,15,17H,13-14,16H2,1-2H3,(H2,27,28,29);1H
InChIKey
InChIKey=DDEDPQYNISJXLF-UHFFFAOYSA-N
SMILES
C(N(C(=C(SC(=O)C1=CC=CC=C1)CCOC(=O)C2=CC=CC=C2)C)C=O)C=3C(N)=NC(C)=NC3.Cl
Canonical SMILES
Cl.O=CN(C(=C(SC(=O)C=1C=CC=CC1)CCOC(=O)C=2C=CC=CC2)C)CC3=CN=C(N=C3N)C
Other Names for this Substance
- Benzenecarbothioic acid, S-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(benzoyloxy)ethyl]-1-propen-1-yl] ester, hydrochloride (1:1)
- Benzoic acid, thio-, S-ester with N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide benzoate (ester), monohydrochloride
- Benzenecarbothioic acid, S-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(benzoyloxy)ethyl]-1-propenyl] ester, monohydrochloride
- Benzoic acid, thio-, S-ester with N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide, benzoate, hydrochloride
- Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)-, dibenzoate, hydrochloride
