| SpectraBase Spectrum ID |
ITlHjCvwAg0 |
| Name |
8-[(4-Fluorobenzyl)sulfanyl]-1,3-dimethyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione |
| Alternate Name(s) |
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-octyl-8-(4-fluorobenzylthio)-
8-[(4-fluorobenzyl)thio]-1,3-dimethyl-7-octyl-xanthine
8-[(4-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-octyl-purine-2,6-dione
8-[(4-fluorophenyl)methylthio]-1,3-dimethyl-7-octylpurine-2,6-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H29FN4O2S |
| InChI |
InChI=1S/C22H29FN4O2S/c1-4-5-6-7-8-9-14-27-18-19(25(2)22(29)26(3)20(18)28)24-21(27)30-15-16-10-12-17(23)13-11-16/h10-13H,4-9,14-15H2,1-3H3 |
| InChIKey |
PDMFGTQMNDXTLE-UHFFFAOYSA-N |
| Molecular Weight |
432.558 g/mol |
| SMILES |
c12c(C(=O)N(C(N2C)=O)C)[n](CCCCCCCC)c(n1)SCc1ccc(cc1)F |
| SPLASH |
splash10-0a4i-2910000000-16377fda39c1485edaf5 |
| Source of Spectrum |
AD-0-2532-0 |
| Wiley ID |
1429240 |
![8-[(4-Fluorobenzyl)sulfanyl]-1,3-dimethyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/ITlHjCvwAg0/structure.png?h=300&w=458 "8-[(4-Fluorobenzyl)sulfanyl]-1,3-dimethyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione")
