| SpectraBase Spectrum ID |
2dNhslglm9X |
| Name |
5-{4-[(3-Fluorobenzyl)oxy]-3-methoxybenzylidene}-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.104956433 u |
| Formula |
C21H19FN2O4S |
| InChI |
InChI=1S/C21H19FN2O4S/c1-23-19(25)16(20(26)24(2)21(23)29)10-13-7-8-17(18(11-13)27-3)28-12-14-5-4-6-15(22)9-14/h4-11H,12H2,1-3H3 |
| InChIKey |
PGXBOTLSWXNESB-UHFFFAOYSA-N |
| Molecular Weight |
414.451 g/mol |
| SMILES |
C1(C(N(C)C(N(C1=O)C)=S)=O)=CC=1C=C(OC)C(=CC1)OCC1=CC(F)=CC=C1 |
![5-{4-[(3-fluorobenzyl)oxy]-3-methoxybenzylidene}-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione](/api/spectrum/2dNhslglm9X/structure.png?h=300&w=458 "5-{4-[(3-fluorobenzyl)oxy]-3-methoxybenzylidene}-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione")
