N'-{(E)-[4-(dimethylamino)phenyl]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	IGDoGTA1VTv
InChI	InChI=1S/C27H27N5O2S2/c1-31(2)19-14-12-18(13-15-19)16-28-30-23(33)17-35-27-29-25-24(21-10-6-7-11-22(21)36-25)26(34)32(27)20-8-4-3-5-9-20/h3-5,8-9,12-16H,6-7,10-11,17H2,1-2H3,(H,30,33)/b28-16+
InChIKey	KLSOLGRSGCTFMK-LQKURTRISA-N Google Search
Mol Weight	517.67 g/mol
Molecular Formula	C27H27N5O2S2
Exact Mass	517.160617 g/mol

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SpectraBase Spectrum ID	HZK0530HnDF
Name	N'-{(E)-[4-(dimethylamino)phenyl]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 © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C27H27N5O2S2/c1-31(2)19-14-12-18(13-15-19)16-28-30-23(33)17-35-27-29-25-24(21-10-6-7-11-22(21)36-25)26(34)32(27)20-8-4-3-5-9-20/h3-5,8-9,12-16H,6-7,10-11,17H2,1-2H3,(H,30,33)/b28-16+
InChIKey	KLSOLGRSGCTFMK-LQKURTRISA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16701
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: D24310; Labnumber: GRES-02284; SBI_ID: SBI-016704
Synonyms	N'-{[4-(dimethylamino)phenyl]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