Benzenecarbothioic acid, S-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(benzoyloxy)ethyl]-1-propen-1-yl] ester, compd. with dodecyl hydrogen sulfate (1:1)
CAS Registry Number®
85187-36-6
No image available.
CAS Name
Benzenecarbothioic acid, S-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(benzoyloxy)ethyl]-1-propen-1-yl] ester, compd. with dodecyl hydrogen sulfate (1:1)Molecular Formula
C26H26N4O4S.C12H26O4SCite this Page
Benzenecarbothioic acid, S-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(benzoyloxy)ethyl]-1-propen-1-yl] ester, compd. with dodecyl hydrogen sulfate (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=85187-36-6 (retrieved ) (CAS RN: 85187-36-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C26H26N4O4S.C12H26O4S/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;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h3-12,15,17H,13-14,16H2,1-2H3,(H2,27,28,29);2-12H2,1H3,(H,13,14,15)
InChIKey
InChIKey=OLTVHXMQBFXARO-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.C(CCCCCCCCCC)COS(=O)(=O)O
Canonical SMILES
O=CN(C(=C(SC(=O)C=1C=CC=CC1)CCOC(=O)C=2C=CC=CC2)C)CC3=CN=C(N=C3N)C.O=S(=O)(O)OCCCCCCCCCCCC
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, compd. with dodecyl hydrogen sulfate (1:1)
- Benzenecarbothioic acid, S-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(benzoyloxy)ethyl]-1-propenyl] ester, mono(dodecyl sulfate)
- 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, dodecyl sulfate
- Sulfuric acid, monododecyl ester, compd. with S-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(benzoyloxy)ethyl]-1-propenyl] benzenecarbothioate (1:1)
