(5Z)-1-(3,4-dimethylphenyl)-5-[(4-ethoxyanilino)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

SpectraBase Compound ID	6cGqcoO355R
InChI	InChI=1S/C21H21N3O3S/c1-4-27-17-9-6-15(7-10-17)22-12-18-19(25)23-21(28)24(20(18)26)16-8-5-13(2)14(3)11-16/h5-12,22H,4H2,1-3H3,(H,23,25,28)/b18-12-
InChIKey	YQHCYBPCIADKLQ-PDGQHHTCSA-N Google Search
Mol Weight	395.48 g/mol
Molecular Formula	C21H21N3O3S
Exact Mass	395.130363 g/mol

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SpectraBase Spectrum ID	GVOd0rTiPE9
Name	(5Z)-1-(3,4-dimethylphenyl)-5-[(4-ethoxyanilino)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/C21H21N3O3S/c1-4-27-17-9-6-15(7-10-17)22-12-18-19(25)23-21(28)24(20(18)26)16-8-5-13(2)14(3)11-16/h5-12,22H,4H2,1-3H3,(H,23,25,28)/b18-12-
InChIKey	YQHCYBPCIADKLQ-PDGQHHTCSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_3749
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: D93780; Labnumber: KKA-0212C-1007; SBI_ID: SBI-003751
Synonyms	1-(3,4-dimethylphenyl)-5-[(4-ethoxyanilino)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature	315 °C