| SpectraBase Spectrum ID |
K1TwARWsKDX |
| Name |
4-Methylbenzaldehyde [3-methyl-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 |
402.180423970 u |
| Formula |
C22H22N6O2 |
| InChI |
InChI=1S/C22H22N6O2/c1-14-4-8-16(9-5-14)12-23-26-21-24-19-18(20(29)25-22(30)27(19)3)28(21)13-17-10-6-15(2)7-11-17/h4-12H,13H2,1-3H3,(H,24,26)(H,25,29,30)/b23-12+ |
| InChIKey |
MKSNBRGATMYOJE-FSJBWODESA-N |
| Molecular Weight |
402.458 g/mol |
| SMILES |
N(C=1N(C2=C(N(C(NC2=O)=O)C)N1)CC1=CC=C(C=C1)C)\N=C\C1=CC=C(C=C1)C |
![4-methylbenzaldehyde [3-methyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone](/api/spectrum/K1TwARWsKDX/structure.png?h=300&w=458 "4-methylbenzaldehyde [3-methyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone")
