For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
7-(2-Fluorobenzyl)-8-[(2-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID FxvD9ryFAgh
InChI InChI=1S/C21H18F2N4O2S/c1-25-18-17(19(28)26(2)21(25)29)27(11-13-7-3-5-9-15(13)22)20(24-18)30-12-14-8-4-6-10-16(14)23/h3-10H,11-12H2,1-2H3
InChIKey JANWMPVZHKSQOZ-UHFFFAOYSA-N
Mol Weight 428.46 g/mol
Molecular Formula C21H18F2N4O2S
Exact Mass 428.111853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Kn7hGm0B1MS
Name 7-(2-Fluorobenzyl)-8-[(2-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18F2N4O2S
InChI InChI=1S/C21H18F2N4O2S/c1-25-18-17(19(28)26(2)21(25)29)27(11-13-7-3-5-9-15(13)22)20(24-18)30-12-14-8-4-6-10-16(14)23/h3-10H,11-12H2,1-2H3
InChIKey JANWMPVZHKSQOZ-UHFFFAOYSA-N
Molecular Weight 428.458 g/mol
SMILES C1(=O)N(c2c(C(=O)N1C)[n](c(n2)SCc1ccccc1F)Cc1c(cccc1)F)C
SPLASH splash10-0a4i-3902100000-b4385dd424445d3f1649
Synonyms 7-(2-fluorobenzyl)-8-[(2-fluorobenzyl)thio]-1,3-dimethyl-xanthine 7-[(2-fluorophenyl)methyl]-8-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethyl-purine-2,6-dione 7-[(2-fluorophenyl)methyl]-8-[(2-fluorophenyl)methylthio]-1,3-dimethylpurine-2,6-dione
Wiley ID 1445686