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2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydro-2-pyrimidinyl)sulfanyl]-N-(5-methyl-3-isoxazolyl)butanamide
SpectraBase Compound ID GoDGADMrDyR
InChI InChI=1S/C19H17N5O3S/c1-3-14(18(26)21-15-9-11(2)27-24-15)28-19-22-16(12-7-5-4-6-8-12)13(10-20)17(25)23-19/h4-9,14H,3H2,1-2H3,(H,21,24,26)(H,22,23,25)
InChIKey VVBCWLLJGBQNOA-UHFFFAOYSA-N
Mol Weight 395.44 g/mol
Molecular Formula C19H17N5O3S
Exact Mass 395.105211 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6xtlLllNXs2
Name 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydro-2-pyrimidinyl)sulfanyl]-N-(5-methyl-3-isoxazolyl)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/C19H17N5O3S/c1-3-14(18(26)21-15-9-11(2)27-24-15)28-19-22-16(12-7-5-4-6-8-12)13(10-20)17(25)23-19/h4-9,14H,3H2,1-2H3,(H,21,24,26)(H,22,23,25)
InChIKey VVBCWLLJGBQNOA-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2007
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: 9312317; UBI_ID: UBI-002008
Temperature 313 °C