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3,7-Dihydropurine-2,6-dione, 7-benzyl-1-(3-chlorobenzyl)-3-methyl-
SpectraBase Compound ID 3edcZEYZZIC
InChI InChI=1S/C20H17ClN4O2/c1-23-18-17(24(13-22-18)11-14-6-3-2-4-7-14)19(26)25(20(23)27)12-15-8-5-9-16(21)10-15/h2-10,13H,11-12H2,1H3
InChIKey AMVYIWDUIZXASU-UHFFFAOYSA-N
Mol Weight 380.84 g/mol
Molecular Formula C20H17ClN4O2
Exact Mass 380.104004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wgVvlrWjix
Name 3,7-Dihydropurine-2,6-dione, 7-benzyl-1-(3-chlorobenzyl)-3-methyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17ClN4O2
InChI InChI=1S/C20H17ClN4O2/c1-23-18-17(24(13-22-18)11-14-6-3-2-4-7-14)19(26)25(20(23)27)12-15-8-5-9-16(21)10-15/h2-10,13H,11-12H2,1H3
InChIKey AMVYIWDUIZXASU-UHFFFAOYSA-N
Molecular Weight 380.835 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)Cc2cc(Cl)ccc2)[n](Cc2ccccc2)cn1
SPLASH splash10-001l-9426000000-9463123f35590ebe7b71
Synonyms 1-[(3-chlorophenyl)methyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione 7-Benzyl-1-(3-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione 7-Benzyl-1-(3-chlorobenzyl)-3-methyl-xanthine 7-Benzyl-1-[(3-chlorophenyl)methyl]-3-methyl-purine-2,6-dione
Wiley ID 1457437