| SpectraBase Spectrum ID |
2RdKfHqMQe7 |
| Name |
8-[4-Chlorobenzyl]-3,7-dihydro-1,3,7trimethyl-1H-purin-2,6-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.088353437 u |
| Formula |
C15H15ClN4O2 |
| InChI |
InChI=1S/C15H15ClN4O2/c1-18-11(8-9-4-6-10(16)7-5-9)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3 |
| InChIKey |
WFCVYRZIZRNVOT-UHFFFAOYSA-N |
| Molecular Weight |
318.764 g/mol |
| SMILES |
C12=C(C(=O)N(C(N2C)=O)C)N(C)C(=N1)CC1=CC=C(C=C1)Cl |
