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7-(4-Chlorobenzyl)-8-(2-chlorophenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 7qot8LmmKTa
InChI InChI=1S/C20H16Cl2N4O3/c1-24-17-16(18(27)25(2)20(24)28)26(11-12-7-9-13(21)10-8-12)19(23-17)29-15-6-4-3-5-14(15)22/h3-10H,11H2,1-2H3
InChIKey ONKQPFCSYYDIFA-UHFFFAOYSA-N
Mol Weight 431.28 g/mol
Molecular Formula C20H16Cl2N4O3
Exact Mass 430.059946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BXkI3E8FKdW
Name 7-(4-Chlorobenzyl)-8-(2-chlorophenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Alternate Name(s) 7-(4-Chlorobenzyl)-8-(2-chlorophenoxy)-1,3-dimethyl-xanthine 8-(2-Chloranylphenoxy)-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione 8-(2-Chlorophenoxy)-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione
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Formula C20H16Cl2N4O3
InChI InChI=1S/C20H16Cl2N4O3/c1-24-17-16(18(27)25(2)20(24)28)26(11-12-7-9-13(21)10-8-12)19(23-17)29-15-6-4-3-5-14(15)22/h3-10H,11H2,1-2H3
InChIKey ONKQPFCSYYDIFA-UHFFFAOYSA-N
Molecular Weight 431.279 g/mol
SMILES c12c([n](Cc3ccc(cc3)Cl)c(n1)Oc1c(Cl)cccc1)C(=O)N(C(N2C)=O)C
SPLASH splash10-004i-4920000000-e7bd27aa1acba2e79681
Wiley ID 1454741