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

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(5Z)-5-{[2,5-dimethyl-1-(5-methyl-2-pyridinyl)-1H-pyrrol-3-yl]methylene}-1-(4-fluorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 8NOHNj8VV0D
InChI InChI=1S/C23H19FN4O2S/c1-13-4-9-20(25-12-13)27-14(2)10-16(15(27)3)11-19-21(29)26-23(31)28(22(19)30)18-7-5-17(24)6-8-18/h4-12H,1-3H3,(H,26,29,31)/b19-11-
InChIKey QUDGJZBGZNRWDW-ODLFYWEKSA-N
Mol Weight 434.49 g/mol
Molecular Formula C23H19FN4O2S
Exact Mass 434.121275 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6lZEjZYCDG1
Name (5Z)-5-{[2,5-dimethyl-1-(5-methyl-2-pyridinyl)-1H-pyrrol-3-yl]methylene}-1-(4-fluorophenyl)-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/C23H19FN4O2S/c1-13-4-9-20(25-12-13)27-14(2)10-16(15(27)3)11-19-21(29)26-23(31)28(22(19)30)18-7-5-17(24)6-8-18/h4-12H,1-3H3,(H,26,29,31)/b19-11-
InChIKey QUDGJZBGZNRWDW-ODLFYWEKSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22814
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: D35843; Labnumber: SPDEM4-15320; SBI_ID: SBI-022818
Synonyms 5-{[2,5-dimethyl-1-(5-methyl-2-pyridinyl)-1H-pyrrol-3-yl]methylene}-1-(4-fluorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 308 °C