(5E)-5-[1-(hexahydro-1H-azepin-1-ylamino)ethylidene]-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione

SpectraBase Compound ID	9WkrRklx2cT
InChI	InChI=1S/C18H22N4O3/c1-13(20-21-11-7-2-3-8-12-21)15-16(23)19-18(25)22(17(15)24)14-9-5-4-6-10-14/h4-6,9-10,20H,2-3,7-8,11-12H2,1H3,(H,19,23,25)/b15-13+
InChIKey	STQNZHIHYLXQLL-FYWRMAATSA-N Google Search
Mol Weight	342.4 g/mol
Molecular Formula	C18H22N4O3
Exact Mass	342.169191 g/mol

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SpectraBase Spectrum ID	CPXKtv2pnOa
Name	(5E)-5-[1-(hexahydro-1H-azepin-1-ylamino)ethylidene]-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
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/C18H22N4O3/c1-13(20-21-11-7-2-3-8-12-21)15-16(23)19-18(25)22(17(15)24)14-9-5-4-6-10-14/h4-6,9-10,20H,2-3,7-8,11-12H2,1H3,(H,19,23,25)/b15-13+
InChIKey	STQNZHIHYLXQLL-FYWRMAATSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_13870
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: D90963; Labnumber: KKA-0212A-0411; SBI_ID: SBI-013873
Synonyms	5-[1-(hexahydro-1H-azepin-1-ylamino)ethylidene]-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature	308 °C