| SpectraBase Spectrum ID |
9JzGrXc8MWE |
| Name |
2-Chloro-6-fluorobenzaldehyde [1,3-dimethyl-7-(4-methylbenzyl)-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 |
454.132029769 u |
| Formula |
C22H20ClFN6O2 |
| InChI |
InChI=1S/C22H20ClFN6O2/c1-13-7-9-14(10-8-13)12-30-18-19(28(2)22(32)29(3)20(18)31)26-21(30)27-25-11-15-16(23)5-4-6-17(15)24/h4-11H,12H2,1-3H3,(H,26,27)/b25-11+ |
| InChIKey |
BLQVIPVABGPWQV-OPEKNORGSA-N |
| Molecular Weight |
454.893 g/mol |
| SMILES |
N(C1=NC2=C(N1CC=1C=CC(=CC1)C)C(=O)N(C(N2C)=O)C)\N=C\C1=C(Cl)C=CC=C1F |
![2-chloro-6-fluorobenzaldehyde [1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone](/api/spectrum/9JzGrXc8MWE/structure.png?h=300&w=458 "2-chloro-6-fluorobenzaldehyde [1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone")
