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

SpectraBase Compound ID	JaDruxWXWVg
InChI	InChI=1S/C19H24N4O3/c1-14(21-22-11-7-2-3-8-12-22)16-17(24)20-19(26)23(18(16)25)13-15-9-5-4-6-10-15/h4-6,9-10,21H,2-3,7-8,11-13H2,1H3,(H,20,24,26)/b16-14+
InChIKey	PORULJCZPVZSTN-JQIJEIRASA-N Google Search
Mol Weight	356.43 g/mol
Molecular Formula	C19H24N4O3
Exact Mass	356.184841 g/mol

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SpectraBase Spectrum ID	8EmHLf1FKQH
Name	(5E)-1-benzyl-5-[1-(hexahydro-1H-azepin-1-ylamino)ethylidene]-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/C19H24N4O3/c1-14(21-22-11-7-2-3-8-12-22)16-17(24)20-19(26)23(18(16)25)13-15-9-5-4-6-10-15/h4-6,9-10,21H,2-3,7-8,11-13H2,1H3,(H,20,24,26)/b16-14+
InChIKey	PORULJCZPVZSTN-JQIJEIRASA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_13533
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: D86159; Labnumber: KKA-0212A-0337; SBI_ID: SBI-013536
Synonyms	1-benzyl-5-[1-(hexahydro-1H-azepin-1-ylamino)ethylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature	318 °C