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N-[4-(aminosulfonyl)phenyl]-2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetamide
SpectraBase Compound ID E2J31EkfsWR
InChI InChI=1S/C20H17N5O5S2/c1-30-14-4-2-3-12(9-14)18-16(10-21)19(27)25-20(24-18)31-11-17(26)23-13-5-7-15(8-6-13)32(22,28)29/h2-9H,11H2,1H3,(H,23,26)(H2,22,28,29)(H,24,25,27)
InChIKey MFBIUOFKXQKEGQ-UHFFFAOYSA-N
Mol Weight 471.51 g/mol
Molecular Formula C20H17N5O5S2
Exact Mass 471.067111 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JXu4dsyrW7E
Name N-[4-(aminosulfonyl)phenyl]-2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydro-2-pyrimidinyl]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/C20H17N5O5S2/c1-30-14-4-2-3-12(9-14)18-16(10-21)19(27)25-20(24-18)31-11-17(26)23-13-5-7-15(8-6-13)32(22,28)29/h2-9H,11H2,1H3,(H,23,26)(H2,22,28,29)(H,24,25,27)
InChIKey MFBIUOFKXQKEGQ-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12396
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: UZI/9120395; UBI_ID: UBI-012399
Temperature 313 °C