| SpectraBase Spectrum ID |
GMryaPIQTOf |
| Name |
5-[3-Ethoxy-4-[2-(4-methylphenoxy)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 |
426.124942985 u |
| Formula |
C22H22N2O5S |
| InChI |
InChI=1S/C22H22N2O5S/c1-3-27-19-13-15(12-17-20(25)23-22(30)24-21(17)26)6-9-18(19)29-11-10-28-16-7-4-14(2)5-8-16/h4-9,12-13H,3,10-11H2,1-2H3,(H2,23,24,25,26,30) |
| InChIKey |
OFUMYDRAEQSMQA-UHFFFAOYSA-N |
| Molecular Weight |
426.487 g/mol |
| SMILES |
C1(C(NC(NC1=O)=S)=O)=CC=1C=C(OCC)C(=CC1)OCCOC1=CC=C(C=C1)C |
![5-[3-Ethoxy-4-[2-(4-methylphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone](/api/spectrum/GMryaPIQTOf/structure.png?h=300&w=458 "5-[3-Ethoxy-4-[2-(4-methylphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone")
