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7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[4-(1-oxobutyl)phenoxy]purine-2,6-dione
SpectraBase Compound ID EOqWEBMmrOa
InChI InChI=1S/C24H23FN4O4/c1-4-7-19(30)15-10-12-17(13-11-15)33-23-26-21-20(22(31)28(3)24(32)27(21)2)29(23)14-16-8-5-6-9-18(16)25/h5-6,8-13H,4,7,14H2,1-3H3
InChIKey MGPOOBSCEGNKRC-UHFFFAOYSA-N
Mol Weight 450.47 g/mol
Molecular Formula C24H23FN4O4
Exact Mass 450.170333 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96Sh7Wm1aEY
Name 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[4-(1-oxobutyl)phenoxy]purine-2,6-dione
Alternate Name(s) 8-(4-butanoylphenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione 8-(4-butyrylphenoxy)-7-(2-fluorobenzyl)-1,3-dimethyl-xanthine
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Formula C24H23FN4O4
InChI InChI=1S/C24H23FN4O4/c1-4-7-19(30)15-10-12-17(13-11-15)33-23-26-21-20(22(31)28(3)24(32)27(21)2)29(23)14-16-8-5-6-9-18(16)25/h5-6,8-13H,4,7,14H2,1-3H3
InChIKey MGPOOBSCEGNKRC-UHFFFAOYSA-N
Molecular Weight 450.470 g/mol
SMILES c12c([n](Cc3c(F)cccc3)c(n1)Oc1ccc(C(=O)CCC)cc1)C(N(C)C(N2C)=O)=O
SPLASH splash10-0a4i-4940300000-fe496d073042ba1572de
Wiley ID 1444664