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

SpectraBase Compound ID	9ysKp48lTmj
InChI	InChI=1S/C22H18N4O2S/c1-14-12-16(15(2)25(14)18-8-10-23-11-9-18)13-19-20(27)24-22(29)26(21(19)28)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,24,27,29)/b19-13+
InChIKey	RCHXNCJKGLEYDJ-CPNJWEJPSA-N Google Search
Mol Weight	402.47 g/mol
Molecular Formula	C22H18N4O2S
Exact Mass	402.115047 g/mol

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SpectraBase Spectrum ID	ARHTU6fdnv2
Name	(5E)-5-{[2,5-dimethyl-1-(4-pyridinyl)-1H-pyrrol-3-yl]methylene}-1-phenyl-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/C22H18N4O2S/c1-14-12-16(15(2)25(14)18-8-10-23-11-9-18)13-19-20(27)24-22(29)26(21(19)28)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,24,27,29)/b19-13+
InChIKey	RCHXNCJKGLEYDJ-CPNJWEJPSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_2996
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/1008042; UBI_ID: UBI-002997
Synonyms	5-{[2,5-dimethyl-1-(4-pyridinyl)-1H-pyrrol-3-yl]methylene}-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature	318 °C