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N-(2,4-difluorophenyl)-2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
SpectraBase Compound ID 3Kyhmw51TOY
InChI InChI=1S/C17H17F2N5O3S/c1-4-24-13-14(22(2)17(27)23(3)15(13)26)21-16(24)28-8-12(25)20-11-6-5-9(18)7-10(11)19/h5-7H,4,8H2,1-3H3,(H,20,25)
InChIKey LDTLSFSDCZALMT-UHFFFAOYSA-N
Mol Weight 409.41 g/mol
Molecular Formula C17H17F2N5O3S
Exact Mass 409.102017 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AOZH7AwbEY1
Name N-(2,4-difluorophenyl)-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/C17H17F2N5O3S/c1-4-24-13-14(22(2)17(27)23(3)15(13)26)21-16(24)28-8-12(25)20-11-6-5-9(18)7-10(11)19/h5-7H,4,8H2,1-3H3,(H,20,25)
InChIKey LDTLSFSDCZALMT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6148
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/11242387; Labnumber: SAD-0003044; IOH_ID: IOH-006149