SpectraBase Spectrum ID |
5THVkx2FjiC |
Name |
4-(Benzyloxy)benzaldehyde [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 |
494.206638718 u |
Formula |
C28H26N6O3 |
InChI |
InChI=1S/C28H26N6O3/c1-19-8-10-21(11-9-19)17-34-24-25(33(2)28(36)31-26(24)35)30-27(34)32-29-16-20-12-14-23(15-13-20)37-18-22-6-4-3-5-7-22/h3-16H,17-18H2,1-2H3,(H,30,32)(H,31,35,36)/b29-16+ |
InChIKey |
AYUZQBRQEHIJTG-MUFRIFMGSA-N |
Molecular Weight |
494.555 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(OCC2=CC=CC=C2)C=C1 |