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8-(4-Fluoro-benzylsulfanyl)-7-isopropyl-1,3-dimethyl-3,7(1H)-dihydro-purine-2,6-dione
SpectraBase Compound ID AxTodp8OoW8
InChI InChI=1S/C17H19FN4O2S/c1-10(2)22-13-14(20(3)17(24)21(4)15(13)23)19-16(22)25-9-11-5-7-12(18)8-6-11/h5-8,10H,9H2,1-4H3
InChIKey OUXYWCSJZAKCTR-UHFFFAOYSA-N
Mol Weight 362.42 g/mol
Molecular Formula C17H19FN4O2S
Exact Mass 362.121275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjyL3voUlVa
Name 8-(4-Fluoro-benzylsulfanyl)-7-isopropyl-1,3-dimethyl-3,7(1H)-dihydro-purine-2,6-dione
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Formula C17H19FN4O2S
InChI InChI=1S/C17H19FN4O2S/c1-10(2)22-13-14(20(3)17(24)21(4)15(13)23)19-16(22)25-9-11-5-7-12(18)8-6-11/h5-8,10H,9H2,1-4H3
InChIKey OUXYWCSJZAKCTR-UHFFFAOYSA-N
Molecular Weight 362.423 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)C)[n](C(C)C)c(n1)SCc1ccc(cc1)F
SPLASH splash10-0a4i-5911000000-ca24cefcacfed7f4cded
Synonyms 8-[(4-Fluorobenzyl)sulfanyl]-7-isopropyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 8-[(4-fluorobenzyl)thio]-7-isopropyl-1,3-dimethyl-xanthine 8-[(4-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione 8-[(4-fluorophenyl)methylsulfanyl]-7-isopropyl-1,3-dimethyl-purine-2,6-dione 8-[(4-fluorophenyl)methylthio]-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione
Wiley ID 1454733