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8-Mercapto-1,3-dimethyl-7-prop-2-ynyl-3,7-dihydro-purine-2,6-dione
SpectraBase Compound ID 6RhFY76RL0n
InChI InChI=1S/C10H10N4O2S/c1-4-5-14-6-7(11-9(14)17)12(2)10(16)13(3)8(6)15/h1H,5H2,2-3H3,(H,11,17)
InChIKey JZOWAIKIVACQRA-UHFFFAOYSA-N
Mol Weight 250.28 g/mol
Molecular Formula C10H10N4O2S
Exact Mass 250.052447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79ndKtrT2YA
Name 8-Mercapto-1,3-dimethyl-7-prop-2-ynyl-3,7-dihydro-purine-2,6-dione
Alternate Name(s) 1,3-Dimethyl-7-(2-propynyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione 1,3-Dimethyl-7-prop-2-ynyl-8-sulfanylidene-9H-purine-2,6-dione 1,3-Dimethyl-7-prop-2-ynyl-8-thioxo-9H-purine-2,6-dione 1,3-Dimethyl-7-propargyl-8-thioxo-9H-purine-2,6-quinone
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Formula C10H10N4O2S
InChI InChI=1S/C10H10N4O2S/c1-4-5-14-6-7(11-9(14)17)12(2)10(16)13(3)8(6)15/h1H,5H2,2-3H3,(H,11,17)
InChIKey JZOWAIKIVACQRA-UHFFFAOYSA-N
Molecular Weight 250.276 g/mol
SMILES Sc1nc2c(C(=O)N(C(N2C)=O)C)[n]1CC#C
SPLASH splash10-0udj-6590000000-b92db860553336789ff9
Wiley ID 1462784