| SpectraBase Spectrum ID |
KuRNG83S4FP |
| Name |
5-[3-Ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.119857604 u |
| Formula |
C22H22N2O6S |
| InChI |
InChI=1S/C22H22N2O6S/c1-3-28-19-13-14(12-15-20(25)23-22(31)24-21(15)26)8-9-18(19)30-11-10-29-17-7-5-4-6-16(17)27-2/h4-9,12-13H,3,10-11H2,1-2H3,(H2,23,24,25,26,31) |
| InChIKey |
SQYNBUAAXKBGAV-UHFFFAOYSA-N |
| Molecular Weight |
442.486 g/mol |
| SMILES |
C1(C(NC(NC1=O)=S)=O)=CC=1C=C(OCC)C(=CC1)OCCOC=1C(OC)=CC=CC1 |
![5-[3-Ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone](/api/spectrum/KuRNG83S4FP/structure.png?h=300&w=458 "5-[3-Ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone")
