| SpectraBase Spectrum ID |
CP2zk0igffc |
| Name |
7-(3-Chlorobenzyl)-1,3-dimethyl-8-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.082222683 u |
| Formula |
C18H17ClN6O2S |
| InChI |
InChI=1S/C18H17ClN6O2S/c1-22-8-7-20-16(22)28-17-21-14-13(15(26)24(3)18(27)23(14)2)25(17)10-11-5-4-6-12(19)9-11/h4-9H,10H2,1-3H3 |
| InChIKey |
AYJQIHWCYYWYKW-UHFFFAOYSA-N |
| Molecular Weight |
416.887 g/mol |
| SMILES |
C12=C(N(CC=3C=C(Cl)C=CC3)C(=N1)SC=1N(C=CN1)C)C(=O)N(C(N2C)=O)C |
![7-(3-Chlorobenzyl)-1,3-dimethyl-8-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/CP2zk0igffc/structure.png?h=300&w=458 "7-(3-Chlorobenzyl)-1,3-dimethyl-8-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione")
