2-{[(Z)-(1-(3-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

SpectraBase Compound ID	GDbj0lJT4Dr
InChI	InChI=1S/C20H15ClN4O3S/c21-11-4-3-5-12(8-11)25-19(27)15(17(26)24-20(25)28)10-23-18-14(9-22)13-6-1-2-7-16(13)29-18/h3-5,8,10,23H,1-2,6-7H2,(H,24,26,28)/b15-10-
InChIKey	QSLBDWWZYVRCNM-GDNBJRDFSA-N Google Search
Mol Weight	426.88 g/mol
Molecular Formula	C20H15ClN4O3S
Exact Mass	426.055339 g/mol

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SpectraBase Spectrum ID	HC3ra3TEooF
Name	2-{[(Z)-(1-(3-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-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/C20H15ClN4O3S/c21-11-4-3-5-12(8-11)25-19(27)15(17(26)24-20(25)28)10-23-18-14(9-22)13-6-1-2-7-16(13)29-18/h3-5,8,10,23H,1-2,6-7H2,(H,24,26,28)/b15-10-
InChIKey	QSLBDWWZYVRCNM-GDNBJRDFSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_16095
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/8069756; UBI_ID: UBI-016098
Synonyms	2-{[(1-(3-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Temperature	308 °C