8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione

SpectraBase Compound ID	ES1U2Rbm3OK
InChI	InChI=1S/C30H31N5O2/c1-22-14-16-25(17-15-22)20-35-26(31-28-27(35)29(36)33(3)30(37)32(28)2)21-34(18-23-10-6-4-7-11-23)19-24-12-8-5-9-13-24/h4-17H,18-21H2,1-3H3
InChIKey	XQRQNGHGUASPJC-UHFFFAOYSA-N Google Search
Mol Weight	493.61 g/mol
Molecular Formula	C30H31N5O2
Exact Mass	493.247775 g/mol

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SpectraBase Spectrum ID	ICGClzeqMPm
Name	8-[(Dibenzylamino)methyl]-1,3-dimethyl-7-(4-methylbenzyl)-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	493.247775256 u
Formula	C30H31N5O2
InChI	InChI=1S/C30H31N5O2/c1-22-14-16-25(17-15-22)20-35-26(31-28-27(35)29(36)33(3)30(37)32(28)2)21-34(18-23-10-6-4-7-11-23)19-24-12-8-5-9-13-24/h4-17H,18-21H2,1-3H3
InChIKey	XQRQNGHGUASPJC-UHFFFAOYSA-N
Molecular Weight	493.611 g/mol
SMILES	C12=C(N(C)C(N(C2=O)C)=O)N=C(N1CC1=CC=C(C=C1)C)CN(CC1=CC=CC=C1)CC1=CC=CC=C1