(5Z)-1-sec-butyl-5-{[(2-phenylethyl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

SpectraBase Compound ID	BeQJ0VaKUN6
InChI	InChI=1S/C17H21N3O2S/c1-3-12(2)20-16(22)14(15(21)19-17(20)23)11-18-10-9-13-7-5-4-6-8-13/h4-8,11-12,18H,3,9-10H2,1-2H3,(H,19,21,23)/b14-11-
InChIKey	NXNWSJHQKTZZRU-KAMYIIQDSA-N Google Search
Mol Weight	331.43 g/mol
Molecular Formula	C17H21N3O2S
Exact Mass	331.135448 g/mol

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SpectraBase Spectrum ID	8K6RosFVedB
Name	(5Z)-1-sec-butyl-5-{[(2-phenylethyl)amino]methylene}-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/C17H21N3O2S/c1-3-12(2)20-16(22)14(15(21)19-17(20)23)11-18-10-9-13-7-5-4-6-8-13/h4-8,11-12,18H,3,9-10H2,1-2H3,(H,19,21,23)/b14-11-
InChIKey	NXNWSJHQKTZZRU-KAMYIIQDSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_27587
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: D77192; Labnumber: KKA-0212C-0894; SBI_ID: SBI-027591
Synonyms	1-sec-butyl-5-{[(2-phenylethyl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature	315 °C