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1-[(4-tert-butylphenyl)methyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione
SpectraBase Compound ID FqMvXA4D5Q0
InChI InChI=1S/C24H26N4O2/c1-24(2,3)19-12-10-18(11-13-19)15-28-22(29)20-21(26(4)23(28)30)25-16-27(20)14-17-8-6-5-7-9-17/h5-13,16H,14-15H2,1-4H3
InChIKey BPQYPVMGQRWAIS-UHFFFAOYSA-N
Mol Weight 402.5 g/mol
Molecular Formula C24H26N4O2
Exact Mass 402.205576 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENaarO6Yva4
Name 1-[(4-tert-butylphenyl)methyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26N4O2
InChI InChI=1S/C24H26N4O2/c1-24(2,3)19-12-10-18(11-13-19)15-28-22(29)20-21(26(4)23(28)30)25-16-27(20)14-17-8-6-5-7-9-17/h5-13,16H,14-15H2,1-4H3
InChIKey BPQYPVMGQRWAIS-UHFFFAOYSA-N
Molecular Weight 402.498 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)Cc2ccc(C(C)(C)C)cc2)[n](Cc2ccccc2)cn1
SPLASH splash10-0uel-5923300000-cc5f4cfaa3e6acd3a97e
Synonyms 7-Benzyl-1-(4-tert-butylbenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione 7-Benzyl-1-(4-tert-butylbenzyl)-3-methyl-xanthine 7-Benzyl-1-[(4-tert-butylphenyl)methyl]-3-methyl-purine-2,6-dione
Wiley ID 1457834