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4-[7-(3-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]oxybenzoic acid methyl ester
SpectraBase Compound ID Eaj5aP9ONo5
InChI InChI=1S/C22H19ClN4O5/c1-25-18-17(19(28)26(2)22(25)30)27(12-13-5-4-6-15(23)11-13)21(24-18)32-16-9-7-14(8-10-16)20(29)31-3/h4-11H,12H2,1-3H3
InChIKey DTXLFFCFWRIFSR-UHFFFAOYSA-N
Mol Weight 454.87 g/mol
Molecular Formula C22H19ClN4O5
Exact Mass 454.104397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID uGWsYr1SRA
Name 4-[7-(3-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]oxybenzoic acid methyl ester
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Formula C22H19ClN4O5
InChI InChI=1S/C22H19ClN4O5/c1-25-18-17(19(28)26(2)22(25)30)27(12-13-5-4-6-15(23)11-13)21(24-18)32-16-9-7-14(8-10-16)20(29)31-3/h4-11H,12H2,1-3H3
InChIKey DTXLFFCFWRIFSR-UHFFFAOYSA-N
Molecular Weight 454.870 g/mol
SMILES c12c([n](Cc3cc(Cl)ccc3)c(n1)Oc1ccc(C(=O)OC)cc1)C(=O)N(C(N2C)=O)C
SPLASH splash10-004i-3940000000-f7a97d6c25950b53aba4
Synonyms 4-[[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]oxy]benzoic acid methyl ester Methyl 4-[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]oxybenzoate Methyl 4-[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]oxybenzoate
Wiley ID 1436893