(5E)-1-allyl-5-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

SpectraBase Compound ID	BMKEVkz4DLI
InChI	InChI=1S/C21H21N3O3S/c1-5-10-23-20(26)18(19(25)22-21(23)28)12-15-11-13(2)24(14(15)3)16-6-8-17(27-4)9-7-16/h5-9,11-12H,1,10H2,2-4H3,(H,22,25,28)/b18-12+
InChIKey	VWGYTNSEJWKGOV-LDADJPATSA-N Google Search
Mol Weight	395.48 g/mol
Molecular Formula	C21H21N3O3S
Exact Mass	395.130363 g/mol

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SpectraBase Spectrum ID	6hku6iB0clK
Name	(5E)-1-allyl-5-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]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/C21H21N3O3S/c1-5-10-23-20(26)18(19(25)22-21(23)28)12-15-11-13(2)24(14(15)3)16-6-8-17(27-4)9-7-16/h5-9,11-12H,1,10H2,2-4H3,(H,22,25,28)/b18-12+
InChIKey	VWGYTNSEJWKGOV-LDADJPATSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_10067
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: 1000825; UBI_ID: UBI-010070
Synonyms	1-allyl-5-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature	315 °C