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7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[4-(1-oxobutyl)phenoxy]purine-2,6-dione
SpectraBase Compound ID EthzijEVZE0
InChI InChI=1S/C24H22Cl2N4O4/c1-4-5-19(31)15-7-9-16(10-8-15)34-23-27-21-20(22(32)29(3)24(33)28(21)2)30(23)13-14-6-11-17(25)18(26)12-14/h6-12H,4-5,13H2,1-3H3
InChIKey GEPQHDIFKLTLBP-UHFFFAOYSA-N
Mol Weight 501.37 g/mol
Molecular Formula C24H22Cl2N4O4
Exact Mass 500.101811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2UaGTg70FuU
Name 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[4-(1-oxobutyl)phenoxy]purine-2,6-dione
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Formula C24H22Cl2N4O4
InChI InChI=1S/C24H22Cl2N4O4/c1-4-5-19(31)15-7-9-16(10-8-15)34-23-27-21-20(22(32)29(3)24(33)28(21)2)30(23)13-14-6-11-17(25)18(26)12-14/h6-12H,4-5,13H2,1-3H3
InChIKey GEPQHDIFKLTLBP-UHFFFAOYSA-N
Molecular Weight 501.370 g/mol
SMILES c12c([n](Cc3cc(Cl)c(cc3)Cl)c(n1)Oc1ccc(C(=O)CCC)cc1)C(=O)N(C(N2C)=O)C
SPLASH splash10-0a4i-3913010000-0e42f70b1ad0c902ddd0
Synonyms 8-(4-butanoylphenoxy)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione 8-(4-butyrylphenoxy)-7-(3,4-dichlorobenzyl)-1,3-dimethyl-xanthine
Wiley ID 1443260