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8-(4-Chlorophenoxy)-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID K5bQZoB71ww
InChI InChI=1S/C21H19ClN4O3/c1-24-18-17(19(27)25(2)21(24)28)26(13-12-14-6-4-3-5-7-14)20(23-18)29-16-10-8-15(22)9-11-16/h3-11H,12-13H2,1-2H3
InChIKey DEGMZQCUPJUNQF-UHFFFAOYSA-N
Mol Weight 410.86 g/mol
Molecular Formula C21H19ClN4O3
Exact Mass 410.114568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6B8qFp1Jj3t
Name 8-(4-Chlorophenoxy)-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19ClN4O3
InChI InChI=1S/C21H19ClN4O3/c1-24-18-17(19(27)25(2)21(24)28)26(13-12-14-6-4-3-5-7-14)20(23-18)29-16-10-8-15(22)9-11-16/h3-11H,12-13H2,1-2H3
InChIKey DEGMZQCUPJUNQF-UHFFFAOYSA-N
Molecular Weight 410.861 g/mol
SMILES c1(Oc2nc3N(C(N(C(=O)c3[n]2CCc2ccccc2)C)=O)C)ccc(cc1)Cl
SPLASH splash10-0a4i-9728200000-da8e71688084faa0c5d2
Synonyms 8-(4-Chlorophenoxy)-1,3-dimethyl-7-phenethyl-xanthine 8-(4-Chlorophenoxy)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione
Wiley ID 1445585