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7-(3,4-Diethoxybenzyl)-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 681nNTtsfXg
InChI InChI=1S/C18H22N4O4S/c1-5-25-12-8-7-11(9-13(12)26-6-2)10-22-14-15(19-17(22)27)20(3)18(24)21(4)16(14)23/h7-9H,5-6,10H2,1-4H3,(H,19,27)
InChIKey ACSPFFYMYXEKAN-UHFFFAOYSA-N
Mol Weight 390.46 g/mol
Molecular Formula C18H22N4O4S
Exact Mass 390.136176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZBoyugxFdB
Name 7-(3,4-Diethoxybenzyl)-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Alternate Name(s) 7-(3,4-diethoxybenzyl)-1,3-dimethyl-8-thioxo-9H-purine-2,6-quinone 7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione 7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-8-thioxo-9H-purine-2,6-dione
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Formula C18H22N4O4S
InChI InChI=1S/C18H22N4O4S/c1-5-25-12-8-7-11(9-13(12)26-6-2)10-22-14-15(19-17(22)27)20(3)18(24)21(4)16(14)23/h7-9H,5-6,10H2,1-4H3,(H,19,27)
InChIKey ACSPFFYMYXEKAN-UHFFFAOYSA-N
Molecular Weight 390.458 g/mol
SMILES Sc1nc2c([n]1Cc1cc(OCC)c(cc1)OCC)C(=O)N(C(N2C)=O)C
SPLASH splash10-004l-9800000000-cd49284a584ef044208b
Wiley ID 1442581