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

*Links on SpectraBase are not permalinks.

7-(2-chloro-6-fluorobenzyl)-8-(2,6-dimethyl-4-morpholinyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 2 NMR

7-(2-chloro-6-fluorobenzyl)-8-(2,6-dimethyl-4-morpholinyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID HUYcKthypkz
InChI InChI=1S/C20H23ClFN5O3/c1-11-8-26(9-12(2)30-11)19-23-17-16(18(28)25(4)20(29)24(17)3)27(19)10-13-14(21)6-5-7-15(13)22/h5-7,11-12H,8-10H2,1-4H3
InChIKey AJQZTAKQBATWLI-UHFFFAOYSA-N
Mol Weight 435.89 g/mol
Molecular Formula C20H23ClFN5O3
Exact Mass 435.147345 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 A8nHBXkxrbE
Name 7-(2-Chloro-6-fluorobenzyl)-8-(2,6-dimethyl-4-morpholinyl)-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 435.147345481 u
Formula C20H23ClFN5O3
InChI InChI=1S/C20H23ClFN5O3/c1-11-8-26(9-12(2)30-11)19-23-17-16(18(28)25(4)20(29)24(17)3)27(19)10-13-14(21)6-5-7-15(13)22/h5-7,11-12H,8-10H2,1-4H3
InChIKey AJQZTAKQBATWLI-UHFFFAOYSA-N
Molecular Weight 435.887 g/mol
SMILES C12=C(N(CC3=C(Cl)C=CC=C3F)C(=N1)N1CC(C)OC(C1)C)C(=O)N(C(N2C)=O)C