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

SpectraBase Compound ID	1XnCKIemlXw
InChI	InChI=1S/C26H31N5O3/c1-4-34-16-15-31-22(27-24-23(31)25(32)29(3)26(33)28(24)2)19-30(17-20-11-7-5-8-12-20)18-21-13-9-6-10-14-21/h5-14H,4,15-19H2,1-3H3
InChIKey	JQZRFLBCVGXGAL-UHFFFAOYSA-N Google Search
Mol Weight	461.57 g/mol
Molecular Formula	C26H31N5O3
Exact Mass	461.24269 g/mol

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SpectraBase Spectrum ID	GYUvatoRxmX
Name	8-[(Dibenzylamino)methyl]-7-(2-ethoxyethyl)-1,3-dimethyl-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	461.242689875 u
Formula	C26H31N5O3
InChI	InChI=1S/C26H31N5O3/c1-4-34-16-15-31-22(27-24-23(31)25(32)29(3)26(33)28(24)2)19-30(17-20-11-7-5-8-12-20)18-21-13-9-6-10-14-21/h5-14H,4,15-19H2,1-3H3
InChIKey	JQZRFLBCVGXGAL-UHFFFAOYSA-N
Molecular Weight	461.566 g/mol
SMILES	C12=C(C(=O)N(C(N2C)=O)C)N(CCOCC)C(=N1)CN(CC1=CC=CC=C1)CC1=CC=CC=C1