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2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydro-2-pyrimidinyl]sulfanyl}-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)butanamide
SpectraBase Compound ID DTHebK40T4a
InChI InChI=1S/C21H22N6O3S2/c1-5-15(18(29)25-21-27-26-19(32-21)11(2)3)31-20-23-16(14(10-22)17(28)24-20)12-7-6-8-13(9-12)30-4/h6-9,11,15H,5H2,1-4H3,(H,23,24,28)(H,25,27,29)
InChIKey NHSQJMDBOPMJGM-UHFFFAOYSA-N
Mol Weight 470.57 g/mol
Molecular Formula C21H22N6O3S2
Exact Mass 470.119481 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LHPAZn3W3Kt
Name 2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydro-2-pyrimidinyl]sulfanyl}-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)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/C21H22N6O3S2/c1-5-15(18(29)25-21-27-26-19(32-21)11(2)3)31-20-23-16(14(10-22)17(28)24-20)12-7-6-8-13(9-12)30-4/h6-9,11,15H,5H2,1-4H3,(H,23,24,28)(H,25,27,29)
InChIKey NHSQJMDBOPMJGM-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_159
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/9120811; Labnumber: 1675; UZI_ID: UZI-000160
Temperature 315 °C