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7-Ethyl-8-(ethylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 1eIuQHrfK
InChI InChI=1S/C10H14N4O2S/c1-4-14-6-7(11-10(14)17-5-2)13(3)9(16)12-8(6)15/h4-5H2,1-3H3,(H,12,15,16)
InChIKey LKOOPRDGMIMNKX-UHFFFAOYSA-N
Mol Weight 254.31 g/mol
Molecular Formula C10H14N4O2S
Exact Mass 254.083747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KeBqtcqnMQP
Name 7-Ethyl-8-(ethylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Alternate Name(s) 7-Ethyl-8-(ethylthio)-3-methyl-xanthine 7-Ethyl-8-(ethylthio)-3-methylpurine-2,6-dione 7-Ethyl-8-ethylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione 7-Ethyl-8-ethylsulfanyl-3-methyl-purine-2,6-dione
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Formula C10H14N4O2S
InChI InChI=1S/C10H14N4O2S/c1-4-14-6-7(11-10(14)17-5-2)13(3)9(16)12-8(6)15/h4-5H2,1-3H3,(H,12,15,16)
InChIKey LKOOPRDGMIMNKX-UHFFFAOYSA-N
Molecular Weight 254.308 g/mol
SMILES N1C(N(c2c(C1=O)[n](c(n2)SCC)CC)C)=O
SPLASH splash10-0umj-9660000000-03f10d1e7d0ba7948fc3
Wiley ID 1456991