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1-Benzyl-8-bromo-3-methyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 2QW7Uz59sHN
InChI InChI=1S/C21H17BrN4O3/c1-24-18-17(19(28)26(21(24)29)12-14-8-4-2-5-9-14)25(20(22)23-18)13-16(27)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKey DNUQQXZNYKOIQH-UHFFFAOYSA-N
Mol Weight 453.3 g/mol
Molecular Formula C21H17BrN4O3
Exact Mass 452.048403 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Z7la34X3YR
Name 1-Benzyl-8-bromo-3-methyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17BrN4O3
InChI InChI=1S/C21H17BrN4O3/c1-24-18-17(19(28)26(21(24)29)12-14-8-4-2-5-9-14)25(20(22)23-18)13-16(27)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKey DNUQQXZNYKOIQH-UHFFFAOYSA-N
Molecular Weight 453.296 g/mol
SMILES c12c([n](CC(=O)c3ccccc3)c(n1)Br)C(=O)N(C(N2C)=O)Cc1ccccc1
SPLASH splash10-0a4i-8900100000-3d0bf40b4dde3031e0fe
Synonyms 1-Benzyl-8-bromo-3-methyl-7-phenacyl-purine-2,6-dione 1-Benzyl-8-bromo-3-methyl-7-phenacyl-xanthine 8-Bromanyl-3-methyl-7-phenacyl-1-(phenylmethyl)purine-2,6-dione 8-Bromo-3-methyl-7-phenacyl-1-(phenylmethyl)purine-2,6-dione
Wiley ID 1457785