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4-[2,6-diketo-1,3-dimethyl-7-(4-methylbenzyl)purin-8-yl]oxybenzoic acid methyl ester
SpectraBase Compound ID 383X6yhV0v0
InChI InChI=1S/C23H22N4O5/c1-14-5-7-15(8-6-14)13-27-18-19(25(2)23(30)26(3)20(18)28)24-22(27)32-17-11-9-16(10-12-17)21(29)31-4/h5-12H,13H2,1-4H3
InChIKey HDGLTONWMJPUQZ-UHFFFAOYSA-N
Mol Weight 434.45 g/mol
Molecular Formula C23H22N4O5
Exact Mass 434.15902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2JlTmorYA1d
Name 4-[2,6-diketo-1,3-dimethyl-7-(4-methylbenzyl)purin-8-yl]oxybenzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N4O5
InChI InChI=1S/C23H22N4O5/c1-14-5-7-15(8-6-14)13-27-18-19(25(2)23(30)26(3)20(18)28)24-22(27)32-17-11-9-16(10-12-17)21(29)31-4/h5-12H,13H2,1-4H3
InChIKey HDGLTONWMJPUQZ-UHFFFAOYSA-N
Molecular Weight 434.452 g/mol
SMILES c12c([n](Cc3ccc(cc3)C)c(n1)Oc1ccc(C(=O)OC)cc1)C(=O)N(C(N2C)=O)C
SPLASH splash10-0a4i-3900000000-473e20e255409590059e
Synonyms 4-[[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-8-purinyl]oxy]benzoic acid methyl ester Methyl 4-[1,3-dimethyl-2,6-dioxo-7-(p-tolylmethyl)purin-8-yl]oxybenzoate Methyl 4-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]oxybenzoate Methyl 4-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]oxybenzoate Methyl 4-{[1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}benzoate
Wiley ID 1442595