| SpectraBase Spectrum ID |
LC9AvH05UcU |
| Name |
4-Chlorobenzaldehyde [3-methyl-2,6-dioxo-7-(2-phenoxyethyl)-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 |
438.120716193 u |
| Formula |
C21H19ClN6O3 |
| InChI |
InChI=1S/C21H19ClN6O3/c1-27-18-17(19(29)25-21(27)30)28(11-12-31-16-5-3-2-4-6-16)20(24-18)26-23-13-14-7-9-15(22)10-8-14/h2-10,13H,11-12H2,1H3,(H,24,26)(H,25,29,30)/b23-13+ |
| InChIKey |
LWKMYAWINSJYOS-YDZHTSKRSA-N |
| Molecular Weight |
438.875 g/mol |
| SMILES |
N(C1=NC=2N(C(NC(C2N1CCOC=1C=CC=CC1)=O)=O)C)\N=C\C=1C=CC(=CC1)Cl |
![4-chlorobenzaldehyde [3-methyl-2,6-dioxo-7-(2-phenoxyethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone](/api/spectrum/LC9AvH05UcU/structure.png?h=300&w=458 "4-chlorobenzaldehyde [3-methyl-2,6-dioxo-7-(2-phenoxyethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone")
