| SpectraBase Spectrum ID |
8KO4NQqBKho |
| Name |
3-(4-Chlorobenzyl)-1-p-tolyl-1H-pyrimido[2,1-B]quinazoline-2,6-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
427.108754530 u |
| Formula |
C25H18ClN3O2 |
| InChI |
InChI=1S/C25H18ClN3O2/c1-16-6-12-20(13-7-16)29-23(30)18(14-17-8-10-19(26)11-9-17)15-28-24(31)21-4-2-3-5-22(21)27-25(28)29/h2-13,15H,14H2,1H3 |
| InChIKey |
TZOPIYHYVOZHIS-UHFFFAOYSA-N |
| Molecular Weight |
427.891 g/mol |
| SMILES |
C12=NC=3C=CC=CC3C(N2C=C(C(N1C=1C=CC(=CC1)C)=O)CC=1C=CC(=CC1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888904 |
![3-(4-Chlorobenzyl)-1-p-tolyl-1H-pyrimido[2,1-b]quinazoline-2,6-dione](/api/spectrum/8KO4NQqBKho/structure.png?h=300&w=458 "3-(4-Chlorobenzyl)-1-p-tolyl-1H-pyrimido[2,1-b]quinazoline-2,6-dione")
