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

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8-[(dibenzylamino)methyl]-1,3-dimethyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 3qsLQPZgtl
InChI InChI=1S/C27H33N5O2/c1-4-5-12-17-32-23(28-25-24(32)26(33)30(3)27(34)29(25)2)20-31(18-21-13-8-6-9-14-21)19-22-15-10-7-11-16-22/h6-11,13-16H,4-5,12,17-20H2,1-3H3
InChIKey CRNRECBODNKYBD-UHFFFAOYSA-N
Mol Weight 459.6 g/mol
Molecular Formula C27H33N5O2
Exact Mass 459.263425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AbUgrVflqEt
Name 8-[(Dibenzylamino)methyl]-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 459.263425321 u
Formula C27H33N5O2
InChI InChI=1S/C27H33N5O2/c1-4-5-12-17-32-23(28-25-24(32)26(33)30(3)27(34)29(25)2)20-31(18-21-13-8-6-9-14-21)19-22-15-10-7-11-16-22/h6-11,13-16H,4-5,12,17-20H2,1-3H3
InChIKey CRNRECBODNKYBD-UHFFFAOYSA-N
Molecular Weight 459.594 g/mol
SMILES C12=C(C(=O)N(C(N2C)=O)C)N(CCCCC)C(=N1)CN(CC=1C=CC=CC1)CC1=CC=CC=C1