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7-(2-fluorobenzyl)-1,3-dimethyl-8-(2-pyridylmethylthio)xanthine

View entire compound with spectra: 1 MS (GC)

7-(2-fluorobenzyl)-1,3-dimethyl-8-(2-pyridylmethylthio)xanthine
SpectraBase Compound ID 8xEa0ctdzs5
InChI InChI=1S/C20H18FN5O2S/c1-24-17-16(18(27)25(2)20(24)28)26(11-13-7-3-4-9-15(13)21)19(23-17)29-12-14-8-5-6-10-22-14/h3-10H,11-12H2,1-2H3
InChIKey XHXYJZPTTQTXHJ-UHFFFAOYSA-N
Mol Weight 411.46 g/mol
Molecular Formula C20H18FN5O2S
Exact Mass 411.116524 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLuFqbO2Oz7
Name 7-(2-fluorobenzyl)-1,3-dimethyl-8-(2-pyridylmethylthio)xanthine
Alternate Name(s) 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(2-pyridinylmethylthio)purine-2,6-dione 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(2-pyridylmethylsulfanyl)purine-2,6-dione 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(pyridin-2-ylmethylsulfanyl)purine-2,6-dione
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Formula C20H18FN5O2S
InChI InChI=1S/C20H18FN5O2S/c1-24-17-16(18(27)25(2)20(24)28)26(11-13-7-3-4-9-15(13)21)19(23-17)29-12-14-8-5-6-10-22-14/h3-10H,11-12H2,1-2H3
InChIKey XHXYJZPTTQTXHJ-UHFFFAOYSA-N
Molecular Weight 411.455 g/mol
SMILES c12c([n](Cc3c(F)cccc3)c(n1)SCc1ncccc1)C(=O)N(C(N2C)=O)C
SPLASH splash10-0aou-8933100000-5276b4b4f167f9bc97dc
Wiley ID 1444497