| SpectraBase Spectrum ID |
H5EP59vzTPt |
| Name |
5-{3-[(4-Bromobenzyl)oxy]-4-methoxybenzylidene}-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 |
445.993591141 u |
| Formula |
C19H15BrN2O4S |
| InChI |
InChI=1S/C19H15BrN2O4S/c1-25-15-7-4-12(8-14-17(23)21-19(27)22-18(14)24)9-16(15)26-10-11-2-5-13(20)6-3-11/h2-9H,10H2,1H3,(H2,21,22,23,24,27) |
| InChIKey |
UMXTZOAIXLAIMW-UHFFFAOYSA-N |
| Molecular Weight |
447.303 g/mol |
| SMILES |
N1C(NC(C(C1=O)=CC1=CC(OCC2=CC=C(C=C2)Br)=C(C=C1)OC)=O)=S |
![5-{3-[(4-bromobenzyl)oxy]-4-methoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione](/api/spectrum/H5EP59vzTPt/structure.png?h=300&w=458 "5-{3-[(4-bromobenzyl)oxy]-4-methoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione")
