| SpectraBase Spectrum ID |
LVxJb5Ys0BK |
| Name |
4-Fluorobenzaldehyde [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 |
440.116379705 u |
| Formula |
C21H18ClFN6O2 |
| InChI |
InChI=1S/C21H18ClFN6O2/c1-27-18-17(19(30)28(2)21(27)31)29(12-14-3-7-15(22)8-4-14)20(25-18)26-24-11-13-5-9-16(23)10-6-13/h3-11H,12H2,1-2H3,(H,25,26)/b24-11+ |
| InChIKey |
FRCMWYDLQCAIOM-BHGWPJFGSA-N |
| Molecular Weight |
440.866 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)F |
![4-fluorobenzaldehyde [7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone](/api/spectrum/LVxJb5Ys0BK/structure.png?h=300&w=458 "4-fluorobenzaldehyde [7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone")
