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8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 2 NMR

8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 92lvtQ7mFv4
InChI InChI=1S/C31H33N5O2/c1-33-29-28(30(37)34(2)31(33)38)36(20-12-19-24-13-6-3-7-14-24)27(32-29)23-35(21-25-15-8-4-9-16-25)22-26-17-10-5-11-18-26/h3-11,13-18H,12,19-23H2,1-2H3
InChIKey OQMOVHZDQUNLRW-UHFFFAOYSA-N
Mol Weight 507.6 g/mol
Molecular Formula C31H33N5O2
Exact Mass 507.263425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID WEGyGWNmZX
Name 8-[(Dibenzylamino)methyl]-1,3-dimethyl-7-(3-phenylpropyl)-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 507.263425321 u
Formula C31H33N5O2
InChI InChI=1S/C31H33N5O2/c1-33-29-28(30(37)34(2)31(33)38)36(20-12-19-24-13-6-3-7-14-24)27(32-29)23-35(21-25-15-8-4-9-16-25)22-26-17-10-5-11-18-26/h3-11,13-18H,12,19-23H2,1-2H3
InChIKey OQMOVHZDQUNLRW-UHFFFAOYSA-N
Molecular Weight 507.638 g/mol
SMILES C12=C(C(=O)N(C(N2C)=O)C)N(CCCC2=CC=CC=C2)C(=N1)CN(CC1=CC=CC=C1)CC1=CC=CC=C1