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

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(5Z)-5-{[2,5-dimethyl-1-(4-pyridinyl)-1H-pyrrol-3-yl]methylene}-1-(4-methoxyphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID GInH1OWsP8w
InChI InChI=1S/C23H20N4O3S/c1-14-12-16(15(2)26(14)18-8-10-24-11-9-18)13-20-21(28)25-23(31)27(22(20)29)17-4-6-19(30-3)7-5-17/h4-13H,1-3H3,(H,25,28,31)/b20-13-
InChIKey LIYBQSRRAHJTGC-MOSHPQCFSA-N
Mol Weight 432.5 g/mol
Molecular Formula C23H20N4O3S
Exact Mass 432.125612 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J36ZMepAwPg
Name (5Z)-5-{[2,5-dimethyl-1-(4-pyridinyl)-1H-pyrrol-3-yl]methylene}-1-(4-methoxyphenyl)-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/C23H20N4O3S/c1-14-12-16(15(2)26(14)18-8-10-24-11-9-18)13-20-21(28)25-23(31)27(22(20)29)17-4-6-19(30-3)7-5-17/h4-13H,1-3H3,(H,25,28,31)/b20-13-
InChIKey LIYBQSRRAHJTGC-MOSHPQCFSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22835
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: D35875; Labnumber: SPDEM4-16973; SBI_ID: SBI-022839
Synonyms 5-{[2,5-dimethyl-1-(4-pyridinyl)-1H-pyrrol-3-yl]methylene}-1-(4-methoxyphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 318 °C