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3,7-Dihydropurine-2,6-dione, 7-benzyl-1-(3-chlorobenzyl)-3-methyl-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 27WIjLr0V43
Name 3,7-Dihydropurine-2,6-dione, 7-benzyl-1-(3-chlorobenzyl)-3-methyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.104003501 u
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 C12=C(C(=O)N(C(N2C)=O)CC=2C=C(C=CC2)Cl)N(CC2=CC=CC=C2)C=N1