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8-[(4-benzyl-1-piperazinyl)methyl]-1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 2 NMR

8-[(4-benzyl-1-piperazinyl)methyl]-1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID D5IsgC78fWy
InChI InChI=1S/C22H30N6O2/c1-4-10-28-18(23-20-19(28)21(29)25(3)22(30)24(20)2)16-27-13-11-26(12-14-27)15-17-8-6-5-7-9-17/h5-9H,4,10-16H2,1-3H3
InChIKey JLYHADGRJMVWIG-UHFFFAOYSA-N
Mol Weight 410.52 g/mol
Molecular Formula C22H30N6O2
Exact Mass 410.243024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BA2ckhyo9sv
Name 8-[(4-Benzyl-1-piperazinyl)methyl]-1,3-dimethyl-7-propyl-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 410.243024228 u
Formula C22H30N6O2
InChI InChI=1S/C22H30N6O2/c1-4-10-28-18(23-20-19(28)21(29)25(3)22(30)24(20)2)16-27-13-11-26(12-14-27)15-17-8-6-5-7-9-17/h5-9H,4,10-16H2,1-3H3
InChIKey JLYHADGRJMVWIG-UHFFFAOYSA-N
Molecular Weight 410.522 g/mol
SMILES C12=C(C(=O)N(C(N2C)=O)C)N(CCC)C(=N1)CN1CCN(CC1)CC=1C=CC=CC1