| SpectraBase Spectrum ID |
3tYHP1w6swP |
| Name |
8-(2-Chloro-4-fluoro-benzylsulfanyl)-1,3-dimethyl-7-octyl-3,7-dihydro-purine-2,6-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H28ClFN4O2S |
| InChI |
InChI=1S/C22H28ClFN4O2S/c1-4-5-6-7-8-9-12-28-18-19(26(2)22(30)27(3)20(18)29)25-21(28)31-14-15-10-11-16(24)13-17(15)23/h10-11,13H,4-9,12,14H2,1-3H3 |
| InChIKey |
SBDQPXCXROYHLJ-UHFFFAOYSA-N |
| Molecular Weight |
467.003 g/mol |
| SMILES |
c12c(C(=O)N(C(N2C)=O)C)[n](CCCCCCCC)c(n1)SCc1c(cc(cc1)F)Cl |
| SPLASH |
splash10-0007-3931200000-d325ea58214fe88af295 |
| Synonyms |
8-[(2-chloro-4-fluorobenzyl)sulfanyl]-1,3-dimethyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione |
| Wiley ID |
1436892 |
