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

*Links on SpectraBase are not permalinks.

7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-(4-methyl-1-piperazinyl)-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 2 NMR

7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-(4-methyl-1-piperazinyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID DnTGhWWRxC9
InChI InChI=1S/C21H28N6O4/c1-23-9-11-26(12-10-23)20-22-18-17(19(29)25(3)21(30)24(18)2)27(20)13-15(28)14-31-16-7-5-4-6-8-16/h4-8,15,28H,9-14H2,1-3H3
InChIKey BIWMSCMHHHZPHB-UHFFFAOYSA-N
Mol Weight 428.49 g/mol
Molecular Formula C21H28N6O4
Exact Mass 428.217203 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 5Qgn8TgObtD
Name 7-(2-Hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-(4-methyl-1-piperazinyl)-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 428.217203402 u
Formula C21H28N6O4
InChI InChI=1S/C21H28N6O4/c1-23-9-11-26(12-10-23)20-22-18-17(19(29)25(3)21(30)24(18)2)27(20)13-15(28)14-31-16-7-5-4-6-8-16/h4-8,15,28H,9-14H2,1-3H3
InChIKey BIWMSCMHHHZPHB-UHFFFAOYSA-N
Molecular Weight 428.493 g/mol
SMILES OC(CN1C2=C(N=C1N1CCN(CC1)C)N(C(N(C)C2=O)=O)C)COC=1C=CC=CC1