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2-[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(2-chlorophenyl)acetamide
SpectraBase Compound ID JRTVxpm84Gn
InChI InChI=1S/C19H22ClN5O3S/c1-4-5-10-25-15-16(23(2)19(28)24(3)17(15)27)22-18(25)29-11-14(26)21-13-9-7-6-8-12(13)20/h6-9H,4-5,10-11H2,1-3H3,(H,21,26)
InChIKey YRSBQAIGRHOXLH-UHFFFAOYSA-N
Mol Weight 435.93 g/mol
Molecular Formula C19H22ClN5O3S
Exact Mass 435.113188 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6LtD0XVoQXd
Name 2-[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(2-chlorophenyl)acetamide
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/C19H22ClN5O3S/c1-4-5-10-25-15-16(23(2)19(28)24(3)17(15)27)22-18(25)29-11-14(26)21-13-9-7-6-8-12(13)20/h6-9H,4-5,10-11H2,1-3H3,(H,21,26)
InChIKey YRSBQAIGRHOXLH-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6136
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/11242374; Labnumber: SAD-0003028; IOH_ID: IOH-006137