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

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(5E)-1-(3,5-dimethylphenyl)-5-{[2,5-dimethyl-1-(4-pyridinyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 3KKH5koLgOJ
InChI InChI=1S/C24H22N4O2S/c1-14-9-15(2)11-20(10-14)28-23(30)21(22(29)26-24(28)31)13-18-12-16(3)27(17(18)4)19-5-7-25-8-6-19/h5-13H,1-4H3,(H,26,29,31)/b21-13+
InChIKey HMNLBAKEXMGLRM-FYJGNVAPSA-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 7uyvwRXJHF5
Name (5E)-1-(3,5-dimethylphenyl)-5-{[2,5-dimethyl-1-(4-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/C24H22N4O2S/c1-14-9-15(2)11-20(10-14)28-23(30)21(22(29)26-24(28)31)13-18-12-16(3)27(17(18)4)19-5-7-25-8-6-19/h5-13H,1-4H3,(H,26,29,31)/b21-13+
InChIKey HMNLBAKEXMGLRM-FYJGNVAPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5124
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/1008412; UBI_ID: UBI-005126
Synonyms 1-(3,5-dimethylphenyl)-5-{[2,5-dimethyl-1-(4-pyridinyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 318 °C