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7-Ethyl-3-methyl-8-(pentylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 9BkT8NF2tjY
InChI InChI=1S/C13H20N4O2S/c1-4-6-7-8-20-13-14-10-9(17(13)5-2)11(18)15-12(19)16(10)3/h4-8H2,1-3H3,(H,15,18,19)
InChIKey HZFOHQYFPXKRAS-UHFFFAOYSA-N
Mol Weight 296.39 g/mol
Molecular Formula C13H20N4O2S
Exact Mass 296.130697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9uOpzsDEVy1
Name 7-Ethyl-3-methyl-8-(pentylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Alternate Name(s) 7-Ethyl-3-methyl-8-(pentylthio)purine-2,6-dione 7-Ethyl-3-methyl-8-pentylsulfanyl-3,7-dihydro-purine-2,6-dione 7-Ethyl-3-methyl-8-pentylsulfanyl-purine-2,6-dione 8-(amylthio)-7-ethyl-3-methyl-xanthine
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Formula C13H20N4O2S
InChI InChI=1S/C13H20N4O2S/c1-4-6-7-8-20-13-14-10-9(17(13)5-2)11(18)15-12(19)16(10)3/h4-8H2,1-3H3,(H,15,18,19)
InChIKey HZFOHQYFPXKRAS-UHFFFAOYSA-N
Molecular Weight 296.389 g/mol
SMILES N1C(N(c2c(C1=O)[n](c(n2)SCCCCC)CC)C)=O
SPLASH splash10-002e-9570000000-afcdbba955e72552ee7b
Wiley ID 1456512