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

SpectraBase Compound ID	G6oVGiTnbVN
InChI	InChI=1S/C19H24N4O3/c24-17-16(14-20-22-11-6-1-2-7-12-22)18(25)23(19(26)21-17)13-10-15-8-4-3-5-9-15/h3-5,8-9,14,20H,1-2,6-7,10-13H2,(H,21,24,26)/b16-14+
InChIKey	YIJBKIRQOJQKBU-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	ABqmwbreX8b
Name	(5E)-5-[(hexahydro-1H-azepin-1-ylamino)methylene]-1-(2-phenylethyl)-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/c24-17-16(14-20-22-11-6-1-2-7-12-22)18(25)23(19(26)21-17)13-10-15-8-4-3-5-9-15/h3-5,8-9,14,20H,1-2,6-7,10-13H2,(H,21,24,26)/b16-14+
InChIKey	YIJBKIRQOJQKBU-JQIJEIRASA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_26496
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: D63353; Labnumber: KKA-0211-1902; SBI_ID: SBI-026500
Synonyms	5-[(hexahydro-1H-azepin-1-ylamino)methylene]-1-(2-phenylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature	308 °C