2-[[7-(2-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]-N-phenethyl-acetamide

SpectraBase Compound ID	DaFUaalgDyJ
InChI	InChI=1S/C24H24ClN5O3S/c1-28-21-20(22(32)29(2)24(28)33)30(14-17-10-6-7-11-18(17)25)23(27-21)34-15-19(31)26-13-12-16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3,(H,26,31)
InChIKey	HHBRTAUGKMIQRQ-UHFFFAOYSA-N Google Search
Mol Weight	498.0 g/mol
Molecular Formula	C24H24ClN5O3S
Exact Mass	497.128839 g/mol

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SpectraBase Spectrum ID	LwBp5Khs9TW
Name	2-[[7-(2-Chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]-N-phenethyl-acetamide
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	497.128838524 u
Formula	C24H24ClN5O3S
InChI	InChI=1S/C24H24ClN5O3S/c1-28-21-20(22(32)29(2)24(28)33)30(14-17-10-6-7-11-18(17)25)23(27-21)34-15-19(31)26-13-12-16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3,(H,26,31)
InChIKey	HHBRTAUGKMIQRQ-UHFFFAOYSA-N
Molecular Weight	498.001 g/mol
SMILES	C12=C(N(CC=3C(Cl)=CC=CC3)C(=N1)SCC(=O)NCCC=1C=CC=CC1)C(=O)N(C(N2C)=O)C