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

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8-[(dibenzylamino)methyl]-1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID AIrO8cCSypq
InChI InChI=1S/C25H29N5O2/c1-4-15-30-21(26-23-22(30)24(31)28(3)25(32)27(23)2)18-29(16-19-11-7-5-8-12-19)17-20-13-9-6-10-14-20/h5-14H,4,15-18H2,1-3H3
InChIKey ULMHFADXHBTPDD-UHFFFAOYSA-N
Mol Weight 431.54 g/mol
Molecular Formula C25H29N5O2
Exact Mass 431.232125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8rvp84sfysL
Name 8-[(Dibenzylamino)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 431.232125192 u
Formula C25H29N5O2
InChI InChI=1S/C25H29N5O2/c1-4-15-30-21(26-23-22(30)24(31)28(3)25(32)27(23)2)18-29(16-19-11-7-5-8-12-19)17-20-13-9-6-10-14-20/h5-14H,4,15-18H2,1-3H3
InChIKey ULMHFADXHBTPDD-UHFFFAOYSA-N
Molecular Weight 431.540 g/mol
SMILES C12=C(C(=O)N(C(N2C)=O)C)N(CCC)C(=N1)CN(CC=1C=CC=CC1)CC1=CC=CC=C1