N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetohydrazide

SpectraBase Compound ID	GGgGyb0acLZ
InChI	InChI=1S/C26H23BrN4O4S2/c1-35-19-12-15(11-18(27)23(19)33)13-28-30-21(32)14-36-26-29-24-22(17-9-5-6-10-20(17)37-24)25(34)31(26)16-7-3-2-4-8-16/h2-4,7-8,11-13,33H,5-6,9-10,14H2,1H3,(H,30,32)/b28-13+
InChIKey	YTXOHJGIGRKEGQ-XODNFHPESA-N Google Search
Mol Weight	599.52 g/mol
Molecular Formula	C26H23BrN4O4S2
Exact Mass	598.034411 g/mol

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SpectraBase Spectrum ID	Dr3P9vKr9D8
Name	N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetohydrazide
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/C26H23BrN4O4S2/c1-35-19-12-15(11-18(27)23(19)33)13-28-30-21(32)14-36-26-29-24-22(17-9-5-6-10-20(17)37-24)25(34)31(26)16-7-3-2-4-8-16/h2-4,7-8,11-13,33H,5-6,9-10,14H2,1H3,(H,30,32)/b28-13+
InChIKey	YTXOHJGIGRKEGQ-XODNFHPESA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16723
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: D24355; Labnumber: GRES-02333; SBI_ID: SBI-016726
Synonyms	N'-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetohydrazide
Temperature	318 °C