| SpectraBase Spectrum ID |
B4O2YvN0OWo |
| Name |
8-[(3,4-diethoxybenzyl)sulfanyl]-7-(2-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Alternate Name(s) |
8-[(3,4-diethoxybenzyl)thio]-7-(2-fluorobenzyl)-1,3-dimethyl-xanthine
8-[(3,4-diethoxyphenyl)methylsulfanyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione
8-[(3,4-diethoxyphenyl)methylthio]-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H27FN4O4S |
| InChI |
InChI=1S/C25H27FN4O4S/c1-5-33-19-12-11-16(13-20(19)34-6-2)15-35-24-27-22-21(23(31)29(4)25(32)28(22)3)30(24)14-17-9-7-8-10-18(17)26/h7-13H,5-6,14-15H2,1-4H3 |
| InChIKey |
OBWBCBGTFXNZNM-UHFFFAOYSA-N |
| Molecular Weight |
498.573 g/mol |
| SMILES |
c12c([n](Cc3c(F)cccc3)c(n1)SCc1cc(OCC)c(cc1)OCC)C(=O)N(C(N2C)=O)C |
| SPLASH |
splash10-00b9-2900000000-e9ad8a9251b94e855720 |
| Wiley ID |
1445057 |
![8-[(3,4-diethoxybenzyl)sulfanyl]-7-(2-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/B4O2YvN0OWo/structure.png?h=300&w=458 "8-[(3,4-diethoxybenzyl)sulfanyl]-7-(2-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione")
