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2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydro-2-pyrimidinyl)sulfanyl]-N-(2-cyanophenyl)butanamide
SpectraBase Compound ID 43W1HnwH1H2
InChI InChI=1S/C22H17N5O2S/c1-2-18(21(29)25-17-11-7-6-10-15(17)12-23)30-22-26-19(14-8-4-3-5-9-14)16(13-24)20(28)27-22/h3-11,18H,2H2,1H3,(H,25,29)(H,26,27,28)
InChIKey ZAAMUXXNGDGDLD-UHFFFAOYSA-N
Mol Weight 415.47 g/mol
Molecular Formula C22H17N5O2S
Exact Mass 415.110296 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LR60FWwSkwF
Name 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydro-2-pyrimidinyl)sulfanyl]-N-(2-cyanophenyl)butanamide
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/C22H17N5O2S/c1-2-18(21(29)25-17-11-7-6-10-15(17)12-23)30-22-26-19(14-8-4-3-5-9-14)16(13-24)20(28)27-22/h3-11,18H,2H2,1H3,(H,25,29)(H,26,27,28)
InChIKey ZAAMUXXNGDGDLD-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3077
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: 9314248; UBI_ID: UBI-003078
Temperature 308 °C