For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

7-(4-chlorobenzyl)-1,3-dimethyl-8-(4-morpholinylmethyl)-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 2 NMR

7-(4-chlorobenzyl)-1,3-dimethyl-8-(4-morpholinylmethyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 1v1AqYQpMoE
InChI InChI=1S/C19H22ClN5O3/c1-22-17-16(18(26)23(2)19(22)27)25(11-13-3-5-14(20)6-4-13)15(21-17)12-24-7-9-28-10-8-24/h3-6H,7-12H2,1-2H3
InChIKey AFGQVRSBUODAPP-UHFFFAOYSA-N
Mol Weight 403.87 g/mol
Molecular Formula C19H22ClN5O3
Exact Mass 403.141117 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CwHa3phMaI6
Name 7-(4-Chlorobenzyl)-1,3-dimethyl-8-(4-morpholinylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.141117285 u
Formula C19H22ClN5O3
InChI InChI=1S/C19H22ClN5O3/c1-22-17-16(18(26)23(2)19(22)27)25(11-13-3-5-14(20)6-4-13)15(21-17)12-24-7-9-28-10-8-24/h3-6H,7-12H2,1-2H3
InChIKey AFGQVRSBUODAPP-UHFFFAOYSA-N
Molecular Weight 403.870 g/mol
SMILES C12=C(N(C)C(N(C2=O)C)=O)N=C(N1CC=1C=CC(=CC1)Cl)CN1CCOCC1