(5E)-5-[4-(diethylamino)-2-methoxybenzylidene]-1-(4-fluorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

SpectraBase Compound ID	AqP1qp9HZkp
InChI	InChI=1S/C22H22FN3O3S/c1-4-25(5-2)17-9-6-14(19(13-17)29-3)12-18-20(27)24-22(30)26(21(18)28)16-10-7-15(23)8-11-16/h6-13H,4-5H2,1-3H3,(H,24,27,30)/b18-12+
InChIKey	HRNALRBSTOSKMV-LDADJPATSA-N Google Search
Mol Weight	427.49 g/mol
Molecular Formula	C22H22FN3O3S
Exact Mass	427.136591 g/mol

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SpectraBase Spectrum ID	5xRrHG62E8k
Name	(5E)-5-[4-(diethylamino)-2-methoxybenzylidene]-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/C22H22FN3O3S/c1-4-25(5-2)17-9-6-14(19(13-17)29-3)12-18-20(27)24-22(30)26(21(18)28)16-10-7-15(23)8-11-16/h6-13H,4-5H2,1-3H3,(H,24,27,30)/b18-12+
InChIKey	HRNALRBSTOSKMV-LDADJPATSA-N
NMR Offset	17.1563
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_3200
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: 113113; Labnumber: PAVL-06860; VK_ID: VK-003201
Synonyms	5-[4-(diethylamino)-2-methoxybenzylidene]-1-(4-fluorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature	308 °C