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8-[(4-benzyl-1-piperazinyl)methyl]-1,3-dimethyl-7-(2-phenylethyl)-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-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID DYWioL4oIC1
InChI InChI=1S/C27H32N6O2/c1-29-25-24(26(34)30(2)27(29)35)33(14-13-21-9-5-3-6-10-21)23(28-25)20-32-17-15-31(16-18-32)19-22-11-7-4-8-12-22/h3-12H,13-20H2,1-2H3
InChIKey CSQUSVMYYLBCEA-UHFFFAOYSA-N
Mol Weight 472.6 g/mol
Molecular Formula C27H32N6O2
Exact Mass 472.258674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ivYdZfUi6Z
Name 8-[(4-Benzyl-1-piperazinyl)methyl]-1,3-dimethyl-7-(2-phenylethyl)-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 472.258674292 u
Formula C27H32N6O2
InChI InChI=1S/C27H32N6O2/c1-29-25-24(26(34)30(2)27(29)35)33(14-13-21-9-5-3-6-10-21)23(28-25)20-32-17-15-31(16-18-32)19-22-11-7-4-8-12-22/h3-12H,13-20H2,1-2H3
InChIKey CSQUSVMYYLBCEA-UHFFFAOYSA-N
Molecular Weight 472.593 g/mol
SMILES C12=C(C(=O)N(C(N2C)=O)C)N(CCC2=CC=CC=C2)C(=N1)CN1CCN(CC1)CC=1C=CC=CC1