(5Z)-1-[2-(1-cyclohexen-1-yl)ethyl]-5-[(2,4-dimethoxyanilino)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

SpectraBase Compound ID	4BPaXtUSyx8
InChI	InChI=1S/C21H25N3O4S/c1-27-15-8-9-17(18(12-15)28-2)22-13-16-19(25)23-21(29)24(20(16)26)11-10-14-6-4-3-5-7-14/h6,8-9,12-13,22H,3-5,7,10-11H2,1-2H3,(H,23,25,29)/b16-13-
InChIKey	RHUGHXVLXMDRDW-SSZFMOIBSA-N Google Search
Mol Weight	415.51 g/mol
Molecular Formula	C21H25N3O4S
Exact Mass	415.156577 g/mol

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SpectraBase Spectrum ID	5Z6nWYeeQ4l
Name	(5Z)-1-[2-(1-cyclohexen-1-yl)ethyl]-5-[(2,4-dimethoxyanilino)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/C21H25N3O4S/c1-27-15-8-9-17(18(12-15)28-2)22-13-16-19(25)23-21(29)24(20(16)26)11-10-14-6-4-3-5-7-14/h6,8-9,12-13,22H,3-5,7,10-11H2,1-2H3,(H,23,25,29)/b16-13-
InChIKey	RHUGHXVLXMDRDW-SSZFMOIBSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_27576
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: D77177; Labnumber: KKA-0212C-0560; SBI_ID: SBI-027580
Synonyms	1-[2-(1-cyclohexen-1-yl)ethyl]-5-[(2,4-dimethoxyanilino)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature	315 °C