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(5Z)-5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-1-(4-ethylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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(5Z)-5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-1-(4-ethylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 9dwERkQPfJM
InChI InChI=1S/C24H22N4O2S/c1-4-17-7-9-19(10-8-17)28-23(30)21(22(29)26-24(28)31)13-18-12-15(2)27(16(18)3)20-6-5-11-25-14-20/h5-14H,4H2,1-3H3,(H,26,29,31)/b21-13-
InChIKey BWUUWGPALHMAJS-BKUYFWCQSA-N
Mol Weight 430.53 g/mol
Molecular Formula C24H22N4O2S
Exact Mass 430.146347 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9SamU3Y5Dqi
Name (5Z)-5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-1-(4-ethylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
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/C24H22N4O2S/c1-4-17-7-9-19(10-8-17)28-23(30)21(22(29)26-24(28)31)13-18-12-15(2)27(16(18)3)20-6-5-11-25-14-20/h5-14H,4H2,1-3H3,(H,26,29,31)/b21-13-
InChIKey BWUUWGPALHMAJS-BKUYFWCQSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9654
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: 133669; Labnumber: AREF2K-2792; VK_ID: VK-009658
Synonyms 5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-1-(4-ethylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 315 °C