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(5E)-1-(2,3-dichlorophenyl)-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-(2,3-dichlorophenyl)-5-{[2,5-dimethyl-1-(4-pyridinyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 6K2fppbVJMI
InChI InChI=1S/C22H16Cl2N4O2S/c1-12-10-14(13(2)27(12)15-6-8-25-9-7-15)11-16-20(29)26-22(31)28(21(16)30)18-5-3-4-17(23)19(18)24/h3-11H,1-2H3,(H,26,29,31)/b16-11+
InChIKey KZSCJUNMYZPGMW-LFIBNONCSA-N
Mol Weight 471.36 g/mol
Molecular Formula C22H16Cl2N4O2S
Exact Mass 470.037102 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CBdppA42Wt0
Name (5E)-1-(2,3-dichlorophenyl)-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/C22H16Cl2N4O2S/c1-12-10-14(13(2)27(12)15-6-8-25-9-7-15)11-16-20(29)26-22(31)28(21(16)30)18-5-3-4-17(23)19(18)24/h3-11H,1-2H3,(H,26,29,31)/b16-11+
InChIKey KZSCJUNMYZPGMW-LFIBNONCSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4427
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/1008226; UBI_ID: UBI-004428
Synonyms 1-(2,3-dichlorophenyl)-5-{[2,5-dimethyl-1-(4-pyridinyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 318 °C