| SpectraBase Spectrum ID |
2a2yZnOcAWh |
| Name |
5-Bromo-1-[(1,2,3,4,6,10B-hexahydro-6-oxopyrimido[2,1-A]isoindol-1-yl)methyl]indole-2,3-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.037504384 u |
| Formula |
C20H16BrN3O3 |
| InChI |
InChI=1S/C20H16BrN3O3/c21-12-6-7-16-15(10-12)17(25)20(27)24(16)11-22-8-3-9-23-18(22)13-4-1-2-5-14(13)19(23)26/h1-2,4-7,10,18H,3,8-9,11H2 |
| InChIKey |
BWZAABMKCVXXSW-UHFFFAOYSA-N |
| Molecular Weight |
426.270 g/mol |
| SMILES |
C1(=O)N2CCCN(CN3C(C(C4=C3C=CC(=C4)Br)=O)=O)C2C=2C=CC=CC12 |
![5-Bromo-1-[(1,2,3,4,6,10B-hexahydro-6-oxopyrimido[2,1-A]isoindol-1-yl)methyl]indole-2,3-dione](/api/spectrum/2a2yZnOcAWh/structure.png?h=300&w=458 "5-Bromo-1-[(1,2,3,4,6,10B-hexahydro-6-oxopyrimido[2,1-A]isoindol-1-yl)methyl]indole-2,3-dione")
