7-(2-chlorobenzyl)-8-[4-(4-methoxyphenyl)-1-piperazinyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

SpectraBase Compound ID	IrDB9AtT6D2
InChI	InChI=1S/C25H27ClN6O3/c1-28-22-21(23(33)29(2)25(28)34)32(16-17-6-4-5-7-20(17)26)24(27-22)31-14-12-30(13-15-31)18-8-10-19(35-3)11-9-18/h4-11H,12-16H2,1-3H3
InChIKey	UTTCACZQVFSLIC-UHFFFAOYSA-N Google Search
Mol Weight	494.98 g/mol
Molecular Formula	C25H27ClN6O3
Exact Mass	494.183316 g/mol

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SpectraBase Spectrum ID	mfPTfimJyZ
Name	7-(2-Chlorobenzyl)-8-[4-(4-methoxyphenyl)-1-piperazinyl]-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	494.183316450 u
Formula	C25H27ClN6O3
InChI	InChI=1S/C25H27ClN6O3/c1-28-22-21(23(33)29(2)25(28)34)32(16-17-6-4-5-7-20(17)26)24(27-22)31-14-12-30(13-15-31)18-8-10-19(35-3)11-9-18/h4-11H,12-16H2,1-3H3
InChIKey	UTTCACZQVFSLIC-UHFFFAOYSA-N
Molecular Weight	494.983 g/mol
SMILES	C12=C(N(CC=3C(Cl)=CC=CC3)C(=N1)N1CCN(CC1)C=1C=CC(=CC1)OC)C(=O)N(C(N2C)=O)C