| SpectraBase Spectrum ID |
85CyDoMkoEC |
| Name |
(3Z)-4-[[(4-Amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino]-3-[(ethoxycarbonyl)sulfanyl]-3-pentenyl ethyl carbonate |
| CAS Registry Number |
137-76-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H26N4O6S |
| InChI |
InChI=1S/C18H26N4O6S/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)/b15-12- |
| InChIKey |
YBROOZNJUDHTGE-QINSGFPZSA-N |
| Molecular Weight |
426.488 g/mol |
| SMILES |
Nc1nc(C)ncc1CN(C=O)\C(=C\(CCOC(=O)OCC)SC(OCC)=O)C |
| SPLASH |
splash10-00di-3901000000-174d8b61704c26a41894 |
| Source of Spectrum |
NP-14-9562-0 |
| Synonyms |
Cetotiamine
S-Ester of O-ethyl thiocarbonate with N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide ethyl carbonate
[[(Z)-2-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-5-ethoxycarbonyloxypent-2-en-3-yl]thio]formic acid ethyl ester
Ethyl [(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-ethoxycarbonyloxypent-2-en-3-yl]sulfanylformate
Ethyl [(Z)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-ethoxycarbonyloxyethyl)prop-1-enyl]sulfanylformate
Ethyl [(Z)-2-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-5-ethoxycarbonyloxy-pent-2-en-3-yl]sulfanylmethanoate |
| Wiley ID |
1112131 |
amino]-3-[(ethoxycarbonyl)sulfanyl]-3-pentenyl ethyl carbonate](/api/spectrum/85CyDoMkoEC/structure.png?h=300&w=458 "(3Z)-4-[[(4-Amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino]-3-[(ethoxycarbonyl)sulfanyl]-3-pentenyl ethyl carbonate")
