8-[(4-benzyl-1-piperazinyl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

SpectraBase Compound ID	6CZuisTo5A8
InChI	InChI=1S/C22H30N6O3/c1-24-20-19(21(29)25(2)22(24)30)28(13-14-31-3)18(23-20)16-27-11-9-26(10-12-27)15-17-7-5-4-6-8-17/h4-8H,9-16H2,1-3H3
InChIKey	AUEUQXGWWWMPRH-UHFFFAOYSA-N Google Search
Mol Weight	426.52 g/mol
Molecular Formula	C22H30N6O3
Exact Mass	426.237939 g/mol

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SpectraBase Spectrum ID	BE0piaalbH4
Name	8-[(4-Benzyl-1-piperazinyl)methyl]-7-(2-methoxyethyl)-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	426.237938847 u
Formula	C22H30N6O3
InChI	InChI=1S/C22H30N6O3/c1-24-20-19(21(29)25(2)22(24)30)28(13-14-31-3)18(23-20)16-27-11-9-26(10-12-27)15-17-7-5-4-6-8-17/h4-8H,9-16H2,1-3H3
InChIKey	AUEUQXGWWWMPRH-UHFFFAOYSA-N
Molecular Weight	426.521 g/mol
SMILES	C12=C(C(=O)N(C(N2C)=O)C)N(CCOC)C(=N1)CN1CCN(CC1)CC=1C=CC=CC1