(5E)-1-(2,3-dimethylphenyl)-2-thioxo-5-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylene]dihydro-4,6(1H,5H)-pyrimidinedione

SpectraBase Compound ID	D3w14DiUvtW
InChI	InChI=1S/C20H21N3O2S/c1-11-7-6-8-17(13(11)3)23-19(25)16(18(24)21-20(23)26)10-15-9-12(2)22(5)14(15)4/h6-10H,1-5H3,(H,21,24,26)/b16-10+
InChIKey	GPEHVQMXTUXNGC-MHWRWJLKSA-N Google Search
Mol Weight	367.47 g/mol
Molecular Formula	C20H21N3O2S
Exact Mass	367.135448 g/mol

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SpectraBase Spectrum ID	9ewPiq8e28O
Name	(5E)-1-(2,3-dimethylphenyl)-2-thioxo-5-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylene]dihydro-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/C20H21N3O2S/c1-11-7-6-8-17(13(11)3)23-19(25)16(18(24)21-20(23)26)10-15-9-12(2)22(5)14(15)4/h6-10H,1-5H3,(H,21,24,26)/b16-10+
InChIKey	GPEHVQMXTUXNGC-MHWRWJLKSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_21172
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: UZI/9675175; UBI_ID: UBI-021176
Synonyms	1-(2,3-dimethylphenyl)-2-thioxo-5-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylene]dihydro-4,6(1H,5H)-pyrimidinedione
Temperature	315 °C