| SpectraBase Spectrum ID |
4YU5x3sWgHq |
| Name |
5-(4-Chlorophenyl)-2,4-dioxo-1H,3H-pyrimido[5,4-f]benzo[1,4]thiazepine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H12ClN3O2S |
| InChI |
InChI=1S/C17H12ClN3O2S/c18-11-6-4-10(5-7-11)14-17-12(20-16(23)21-15(17)22)2-1-3-13(17)24-9-8-19-14/h1-9,13H,(H2,20,21,22,23) |
| InChIKey |
JVWDXBHFFRARDN-UHFFFAOYSA-N |
| Molecular Weight |
357.815 g/mol |
| SMILES |
N1C(NC=2C3(C1=O)C(=NC=CSC3C=CC2)c1ccc(cc1)Cl)=O |
| SPLASH |
splash10-00di-0900000000-2e258102792476141266 |
| Source of Spectrum |
QC-25-995-10 |
| Synonyms |
12-(4-chlorophenyl)-4,7a-dihydro-1H-[1,4]thiazepino[6,7-e]quinazoline-1,3(2H)-dione |
| Wiley ID |
1584355 |
![5-(4-Chlorophenyl)-2,4-dioxo-1H,3H-pyrimido[5,4-f]benzo[1,4]thiazepine](/api/spectrum/4YU5x3sWgHq/structure.png?h=300&w=458 "5-(4-Chlorophenyl)-2,4-dioxo-1H,3H-pyrimido[5,4-f]benzo[1,4]thiazepine")
