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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 2 NMR

7-(4-chlorobenzyl)-8-(dimethylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID O1PKO5IoMP
InChI InChI=1S/C16H18ClN5O2/c1-19(2)15-18-13-12(14(23)21(4)16(24)20(13)3)22(15)9-10-5-7-11(17)8-6-10/h5-8H,9H2,1-4H3
InChIKey CCAJVMIFKHQERZ-UHFFFAOYSA-N
Mol Weight 347.81 g/mol
Molecular Formula C16H18ClN5O2
Exact Mass 347.114903 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 dmrIsSTOTz
Name 7-(4-Chlorobenzyl)-8-(dimethylamino)-1,3-dimethyl-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 347.114902538 u
Formula C16H18ClN5O2
InChI InChI=1S/C16H18ClN5O2/c1-19(2)15-18-13-12(14(23)21(4)16(24)20(13)3)22(15)9-10-5-7-11(17)8-6-10/h5-8H,9H2,1-4H3
InChIKey CCAJVMIFKHQERZ-UHFFFAOYSA-N
Molecular Weight 347.806 g/mol
SMILES C12=C(N(CC=3C=CC(=CC3)Cl)C(=N1)N(C)C)C(=O)N(C(N2C)=O)C