| SpectraBase Spectrum ID |
8n8XmSXmWde |
| Name |
4-Bromobenzaldehyde [7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
500.036314542 u |
| Formula |
C21H18BrClN6O2 |
| InChI |
InChI=1S/C21H18BrClN6O2/c1-27-18-17(19(30)28(2)21(27)31)29(12-14-5-9-16(23)10-6-14)20(25-18)26-24-11-13-3-7-15(22)8-4-13/h3-11H,12H2,1-2H3,(H,25,26)/b24-11+ |
| InChIKey |
ICJFUBUXMRJXQX-BHGWPJFGSA-N |
| Molecular Weight |
501.772 g/mol |
| SMILES |
N(C1=NC2=C(N1CC1=CC=C(C=C1)Cl)C(=O)N(C(N2C)=O)C)\N=C\C=1C=CC(=CC1)Br |
![4-bromobenzaldehyde [7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone](/api/spectrum/8n8XmSXmWde/structure.png?h=300&w=458 "4-bromobenzaldehyde [7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone")
