| SpectraBase Spectrum ID |
G2tSk8Gwk5O |
| Name |
1H-Purine-2,6-dione,3,7-dihydro-3-methyl-7-phenylmethyl-8-carboxaldehyde,2-hydroxy-5-bromobenzoylhydrazone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
496.049466047 u |
| Formula |
C21H17BrN6O4 |
| InChI |
InChI=1S/C21H17BrN6O4/c1-27-18-17(20(31)25-21(27)32)28(11-12-5-3-2-4-6-12)16(24-18)10-23-26-19(30)14-9-13(22)7-8-15(14)29/h2-10,29H,11H2,1H3,(H,26,30)(H,25,31,32) |
| InChIKey |
UKUDJNOVQWJTND-UHFFFAOYSA-N |
| Molecular Weight |
497.309 g/mol |
| SMILES |
C1(NC(C2=C(N1C)N=C(N2CC=1C=CC=CC1)C=NNC(C1=CC(=CC=C1O)Br)=O)=O)=O |
