(5E)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-1-(4-fluorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

SpectraBase Compound ID	GTbv5NENE1Y
InChI	InChI=1S/C19H14FN3O4S/c20-12-2-4-13(5-3-12)23-18(25)14(17(24)22-19(23)28)9-21-8-11-1-6-15-16(7-11)27-10-26-15/h1-7,9,21H,8,10H2,(H,22,24,28)/b14-9+
InChIKey	LTHCAEARZLQSMK-NTEUORMPSA-N Google Search
Mol Weight	399.4 g/mol
Molecular Formula	C19H14FN3O4S
Exact Mass	399.068905 g/mol

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SpectraBase Spectrum ID	9xO3duhVNZx
Name	(5E)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]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/C19H14FN3O4S/c20-12-2-4-13(5-3-12)23-18(25)14(17(24)22-19(23)28)9-21-8-11-1-6-15-16(7-11)27-10-26-15/h1-7,9,21H,8,10H2,(H,22,24,28)/b14-9+
InChIKey	LTHCAEARZLQSMK-NTEUORMPSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_17633
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: D28830; Labnumber: KKA-0211-3079; SBI_ID: SBI-017636
Synonyms	5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-1-(4-fluorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature	318 °C