7-(3-chlorobenzyl)-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

SpectraBase Compound ID	7LnAEzoYx9A
InChI	InChI=1S/C17H16ClN7O2S/c1-22-9-19-21-16(22)28-15-20-13-12(14(26)24(3)17(27)23(13)2)25(15)8-10-5-4-6-11(18)7-10/h4-7,9H,8H2,1-3H3
InChIKey	LFFIQZGEIKUDJA-UHFFFAOYSA-N Google Search
Mol Weight	417.88 g/mol
Molecular Formula	C17H16ClN7O2S
Exact Mass	417.077472 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	7Y4hA9G3ZgB
Name	7-(3-chlorobenzyl)-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C17H16ClN7O2S/c1-22-9-19-21-16(22)28-15-20-13-12(14(26)24(3)17(27)23(13)2)25(15)8-10-5-4-6-11(18)7-10/h4-7,9H,8H2,1-3H3
InChIKey	LFFIQZGEIKUDJA-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_4945
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: NMR/10311055; Labnumber: SAD-002531; IOH_ID: IOH-004946