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

*Links on SpectraBase are not permalinks.
8-[(3,4-diethoxybenzyl)sulfanyl]-7-(2-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID GGTbE0Sso68
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
Mol Weight 498.57 g/mol
Molecular Formula C25H27FN4O4S
Exact Mass 498.173705 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 B4O2YvN0OWo
Name 8-[(3,4-diethoxybenzyl)sulfanyl]-7-(2-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-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
Synonyms 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
Wiley ID 1445057