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7-Butyl-8-[(2-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 2uWuzkT4fNp
InChI InChI=1S/C18H21FN4O2S/c1-4-5-10-23-14-15(21(2)18(25)22(3)16(14)24)20-17(23)26-11-12-8-6-7-9-13(12)19/h6-9H,4-5,10-11H2,1-3H3
InChIKey HIGXMKQIECBACY-UHFFFAOYSA-N
Mol Weight 376.45 g/mol
Molecular Formula C18H21FN4O2S
Exact Mass 376.136925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6gYHljA2vKE
Name 7-Butyl-8-[(2-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Alternate Name(s) 7-Butyl-8-[(2-fluorobenzyl)thio]-1,3-dimethyl-xanthine 7-Butyl-8-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethyl-purine-2,6-dione 7-Butyl-8-[(2-fluorophenyl)methylthio]-1,3-dimethylpurine-2,6-dione Purine-2,6-dione, 7-butyl-8-(2-fluorobenzylsulfanyl)-1,3-dimethyl-3,7-dihydro-
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Formula C18H21FN4O2S
InChI InChI=1S/C18H21FN4O2S/c1-4-5-10-23-14-15(21(2)18(25)22(3)16(14)24)20-17(23)26-11-12-8-6-7-9-13(12)19/h6-9H,4-5,10-11H2,1-3H3
InChIKey HIGXMKQIECBACY-UHFFFAOYSA-N
Molecular Weight 376.450 g/mol
SMILES C1(N(C(c2c(nc(SCc3c(cccc3)F)[n]2CCCC)N1C)=O)C)=O
SPLASH splash10-056r-7948000000-e90d152e046e09b8dcb9
Wiley ID 1446917