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

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(5E)-5-{[2,5-dimethyl-1-(4-pyridinyl)-1H-pyrrol-3-yl]methylene}-1-(3-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID LIjGvQ14u3w
InChI InChI=1S/C23H20N4O2S/c1-14-5-4-6-19(11-14)27-22(29)20(21(28)25-23(27)30)13-17-12-15(2)26(16(17)3)18-7-9-24-10-8-18/h4-13H,1-3H3,(H,25,28,30)/b20-13+
InChIKey YBNHXTYCMKBXPC-DEDYPNTBSA-N
Mol Weight 416.5 g/mol
Molecular Formula C23H20N4O2S
Exact Mass 416.130697 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D52INgIpXYu
Name (5E)-5-{[2,5-dimethyl-1-(4-pyridinyl)-1H-pyrrol-3-yl]methylene}-1-(3-methylphenyl)-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/C23H20N4O2S/c1-14-5-4-6-19(11-14)27-22(29)20(21(28)25-23(27)30)13-17-12-15(2)26(16(17)3)18-7-9-24-10-8-18/h4-13H,1-3H3,(H,25,28,30)/b20-13+
InChIKey YBNHXTYCMKBXPC-DEDYPNTBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9969
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/1009649; UBI_ID: UBI-009972
Synonyms 5-{[2,5-dimethyl-1-(4-pyridinyl)-1H-pyrrol-3-yl]methylene}-1-(3-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 318 °C