SpectraBase Spectrum ID |
IPPTo9K8dZ6 |
Name |
4-Hydroxybenzaldehyde [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 |
418.175338589 u |
Formula |
C22H22N6O3 |
InChI |
InChI=1S/C22H22N6O3/c1-14-4-6-16(7-5-14)13-28-18-19(26(2)22(31)27(3)20(18)30)24-21(28)25-23-12-15-8-10-17(29)11-9-15/h4-12,29H,13H2,1-3H3,(H,24,25)/b23-12+ |
InChIKey |
OKNBXKMABKLTBR-FSJBWODESA-N |
Molecular Weight |
418.457 g/mol |
SMILES |
N(C1=NC2=C(N1CC=1C=CC(=CC1)C)C(=O)N(C(N2C)=O)C)\N=C\C=1C=CC(=CC1)O |