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7-Ethyl-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID KcVoNGZyym
InChI InChI=1S/C11H16N4O2S/c1-4-6-18-11-12-8-7(15(11)5-2)9(16)13-10(17)14(8)3/h4-6H2,1-3H3,(H,13,16,17)
InChIKey BICTZPOWLJRDKQ-UHFFFAOYSA-N
Mol Weight 268.33 g/mol
Molecular Formula C11H16N4O2S
Exact Mass 268.099397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DC2vwIvGomH
Name 7-Ethyl-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Alternate Name(s) 7-Ethyl-3-methyl-8-(propylthio)purine-2,6-dione 7-Ethyl-3-methyl-8-(propylthio)xanthine 7-Ethyl-3-methyl-8-propylsulfanyl-3,7-dihydro-purine-2,6-dione 7-Ethyl-3-methyl-8-propylsulfanyl-purine-2,6-dione
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Formula C11H16N4O2S
InChI InChI=1S/C11H16N4O2S/c1-4-6-18-11-12-8-7(15(11)5-2)9(16)13-10(17)14(8)3/h4-6H2,1-3H3,(H,13,16,17)
InChIKey BICTZPOWLJRDKQ-UHFFFAOYSA-N
Molecular Weight 268.335 g/mol
SMILES N1C(N(c2c(C1=O)[n](c(n2)SCCC)CC)C)=O
SPLASH splash10-016v-9560000000-e0ec836ec550eab42535
Wiley ID 1456507