| SpectraBase Spectrum ID |
6IkB6rhK8W3 |
| Name |
4-Methylbenzaldehyde [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 |
418.175338589 u |
| Formula |
C22H22N6O3 |
| InChI |
InChI=1S/C22H22N6O3/c1-15-8-10-16(11-9-15)14-23-26-21-24-19-18(20(29)25-22(30)27(19)2)28(21)12-13-31-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,24,26)(H,25,29,30)/b23-14+ |
| InChIKey |
ORVWFEWYSDHPLG-OEAKJJBVSA-N |
| Molecular Weight |
418.457 g/mol |
| SMILES |
N(C1=NC=2N(C(NC(C2N1CCOC=1C=CC=CC1)=O)=O)C)\N=C\C1=CC=C(C=C1)C |
![4-methylbenzaldehyde [3-methyl-2,6-dioxo-7-(2-phenoxyethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone](/api/spectrum/6IkB6rhK8W3/structure.png?h=300&w=458 "4-methylbenzaldehyde [3-methyl-2,6-dioxo-7-(2-phenoxyethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone")
