(5E)-1-(2-methylphenyl)-5-{[(4-methyl-1-piperazinyl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

SpectraBase Compound ID	BT0k0qEF9QG
InChI	InChI=1S/C17H21N5O2S/c1-12-5-3-4-6-14(12)22-16(24)13(15(23)19-17(22)25)11-18-21-9-7-20(2)8-10-21/h3-6,11,18H,7-10H2,1-2H3,(H,19,23,25)/b13-11+
InChIKey	JIVQMZAVSYUVBS-ACCUITESSA-N Google Search
Mol Weight	359.45 g/mol
Molecular Formula	C17H21N5O2S
Exact Mass	359.141596 g/mol

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SpectraBase Spectrum ID	4ABSBHDGDZs
Name	(5E)-1-(2-methylphenyl)-5-{[(4-methyl-1-piperazinyl)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/C17H21N5O2S/c1-12-5-3-4-6-14(12)22-16(24)13(15(23)19-17(22)25)11-18-21-9-7-20(2)8-10-21/h3-6,11,18H,7-10H2,1-2H3,(H,19,23,25)/b13-11+
InChIKey	JIVQMZAVSYUVBS-ACCUITESSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_17625
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: D28808; Labnumber: KKA-0211-2844; SBI_ID: SBI-017628
Synonyms	1-(2-methylphenyl)-5-{[(4-methyl-1-piperazinyl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature	318 °C