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N-(4-chlorophenyl)-2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
SpectraBase Compound ID 71aFN00VRR1
InChI InChI=1S/C17H18ClN5O3S/c1-4-23-13-14(21(2)17(26)22(3)15(13)25)20-16(23)27-9-12(24)19-11-7-5-10(18)6-8-11/h5-8H,4,9H2,1-3H3,(H,19,24)
InChIKey OLQVGPICNYDHJI-UHFFFAOYSA-N
Mol Weight 407.88 g/mol
Molecular Formula C17H18ClN5O3S
Exact Mass 407.081888 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A04hRiMxmpO
Name N-(4-chlorophenyl)-2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]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/C17H18ClN5O3S/c1-4-23-13-14(21(2)17(26)22(3)15(13)25)20-16(23)27-9-12(24)19-11-7-5-10(18)6-8-11/h5-8H,4,9H2,1-3H3,(H,19,24)
InChIKey OLQVGPICNYDHJI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6062
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/11242271; Labnumber: SAD-0002914; IOH_ID: IOH-006063