2-{2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

SpectraBase Compound ID	9jUPwBgsin8
InChI	InChI=1S/C21H20N4O3S/c1-11-8-13(9-15-18(26)23-21(28)24(3)19(15)27)12(2)25(11)20-16(10-22)14-6-4-5-7-17(14)29-20/h8-9H,4-7H2,1-3H3,(H,23,26,28)/b15-9+
InChIKey	RDSNULJLPNMBKR-OQLLNIDSSA-N Google Search
Mol Weight	408.48 g/mol
Molecular Formula	C21H20N4O3S
Exact Mass	408.125612 g/mol

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SpectraBase Spectrum ID	G5HPXwUznJL
Name	2-{2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
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/C21H20N4O3S/c1-11-8-13(9-15-18(26)23-21(28)24(3)19(15)27)12(2)25(11)20-16(10-22)14-6-4-5-7-17(14)29-20/h8-9H,4-7H2,1-3H3,(H,23,26,28)/b15-9+
InChIKey	RDSNULJLPNMBKR-OQLLNIDSSA-N
NMR Offset	17.1563
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_3213
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: 113128; Labnumber: PAVL-07202; VK_ID: VK-003214
Synonyms	2-{2,5-dimethyl-3-[(1-methyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Temperature	308 °C