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7-(3,4-diethoxybenzyl)-1,3-dimethyl-9H-purine-2,6,8-trione
SpectraBase Compound ID 7oaT6xUQhR5
InChI InChI=1S/C18H22N4O5/c1-5-26-12-8-7-11(9-13(12)27-6-2)10-22-14-15(19-17(22)24)20(3)18(25)21(4)16(14)23/h7-9H,5-6,10H2,1-4H3,(H,19,24)
InChIKey GGPVOCTYYNEMSM-UHFFFAOYSA-N
Mol Weight 374.4 g/mol
Molecular Formula C18H22N4O5
Exact Mass 374.15902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gvi5khqNaDh
Name 7-(3,4-diethoxybenzyl)-1,3-dimethyl-9H-purine-2,6,8-trione
Alternate Name(s) 7-(3,4-Diethoxybenzyl)-8-hydroxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-9H-purine-2,6,8-trione
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Formula C18H22N4O5
InChI InChI=1S/C18H22N4O5/c1-5-26-12-8-7-11(9-13(12)27-6-2)10-22-14-15(19-17(22)24)20(3)18(25)21(4)16(14)23/h7-9H,5-6,10H2,1-4H3,(H,19,24)
InChIKey GGPVOCTYYNEMSM-UHFFFAOYSA-N
Molecular Weight 374.397 g/mol
SMILES Oc1nc2c([n]1Cc1cc(c(OCC)cc1)OCC)C(=O)N(C(N2C)=O)C
SPLASH splash10-004i-3900000000-fc89a3f2eb4d3f9852ff
Wiley ID 1444496