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

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(5E)-1-(3-chlorophenyl)-5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 7j0l6uwr4G6
InChI InChI=1S/C22H17ClN4O2S/c1-13-9-15(14(2)26(13)18-7-4-8-24-12-18)10-19-20(28)25-22(30)27(21(19)29)17-6-3-5-16(23)11-17/h3-12H,1-2H3,(H,25,28,30)/b19-10+
InChIKey ALKVRCKEITYWGW-VXLYETTFSA-N
Mol Weight 436.92 g/mol
Molecular Formula C22H17ClN4O2S
Exact Mass 436.076075 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L5m59RnFv4S
Name (5E)-1-(3-chlorophenyl)-5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-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/C22H17ClN4O2S/c1-13-9-15(14(2)26(13)18-7-4-8-24-12-18)10-19-20(28)25-22(30)27(21(19)29)17-6-3-5-16(23)11-17/h3-12H,1-2H3,(H,25,28,30)/b19-10+
InChIKey ALKVRCKEITYWGW-VXLYETTFSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9653
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: 133668; Labnumber: AREF2K-2791; VK_ID: VK-009657
Synonyms 1-(3-chlorophenyl)-5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 315 °C