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8-(4-fluoranylphenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
SpectraBase Compound ID EsArVKZAd3M
InChI InChI=1S/C21H19FN4O3/c1-13-4-6-14(7-5-13)12-26-17-18(24(2)21(28)25(3)19(17)27)23-20(26)29-16-10-8-15(22)9-11-16/h4-11H,12H2,1-3H3
InChIKey MPKYGNKUEUONAY-UHFFFAOYSA-N
Mol Weight 394.41 g/mol
Molecular Formula C21H19FN4O3
Exact Mass 394.144119 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYTz2zFVPY4
Name 8-(4-fluoranylphenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
Alternate Name(s) 8-(4-Fluorophenoxy)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione 8-(4-fluorophenoxy)-1,3-dimethyl-7-(4-methylbenzyl)xanthine 8-(4-fluorophenoxy)-1,3-dimethyl-7-(p-tolylmethyl)purine-2,6-dione 8-(4-fluorophenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
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Formula C21H19FN4O3
InChI InChI=1S/C21H19FN4O3/c1-13-4-6-14(7-5-13)12-26-17-18(24(2)21(28)25(3)19(17)27)23-20(26)29-16-10-8-15(22)9-11-16/h4-11H,12H2,1-3H3
InChIKey MPKYGNKUEUONAY-UHFFFAOYSA-N
Molecular Weight 394.406 g/mol
SMILES c12c([n](Cc3ccc(cc3)C)c(n1)Oc1ccc(cc1)F)C(=O)N(C(N2C)=O)C
SPLASH splash10-0a4i-3900000000-00e3511a49090025661f
Wiley ID 1452623