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

*Links on SpectraBase are not permalinks.

8-[4-(4-methoxyphenyl)-1-piperazinyl]-1,3-dimethyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 2 NMR

8-[4-(4-methoxyphenyl)-1-piperazinyl]-1,3-dimethyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 5CiKZlVGfFp
InChI InChI=1S/C23H32N6O3/c1-5-6-7-12-29-19-20(25(2)23(31)26(3)21(19)30)24-22(29)28-15-13-27(14-16-28)17-8-10-18(32-4)11-9-17/h8-11H,5-7,12-16H2,1-4H3
InChIKey PTIWWJPILBRZMJ-UHFFFAOYSA-N
Mol Weight 440.5 g/mol
Molecular Formula C23H32N6O3
Exact Mass 440.253589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID HEF9zSnunSK
Name 8-[4-(4-Methoxyphenyl)-1-piperazinyl]-1,3-dimethyl-7-pentyl-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 440.253588911 u
Formula C23H32N6O3
InChI InChI=1S/C23H32N6O3/c1-5-6-7-12-29-19-20(25(2)23(31)26(3)21(19)30)24-22(29)28-15-13-27(14-16-28)17-8-10-18(32-4)11-9-17/h8-11H,5-7,12-16H2,1-4H3
InChIKey PTIWWJPILBRZMJ-UHFFFAOYSA-N
Molecular Weight 440.548 g/mol
SMILES C12=C(C(=O)N(C(N2C)=O)C)N(CCCCC)C(=N1)N1CCN(CC1)C1=CC=C(C=C1)OC