| SpectraBase Spectrum ID |
Dkhq94Ti0u2 |
| Name |
5-[2-[2-(4-Nitrophenoxy)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 |
413.068156383 u |
| Formula |
C19H15N3O6S |
| InChI |
InChI=1S/C19H15N3O6S/c23-17-15(18(24)21-19(29)20-17)11-12-3-1-2-4-16(12)28-10-9-27-14-7-5-13(6-8-14)22(25)26/h1-8,11H,9-10H2,(H2,20,21,23,24,29) |
| InChIKey |
GVPSAYCJUWMKSM-UHFFFAOYSA-N |
| Molecular Weight |
413.404 g/mol |
| SMILES |
C1(C(NC(NC1=O)=S)=O)=CC=1C(OCCOC=2C=CC(N(=O)=O)=CC2)=CC=CC1 |
![5-[2-[2-(4-Nitrophenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone](/api/spectrum/Dkhq94Ti0u2/structure.png?h=300&w=458 "5-[2-[2-(4-Nitrophenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone")
