(6E)-6-{[1-(2-chlorobenzyl)-1H-indol-3-yl]methylene}-5-imino-2-[2-(4-morpholinyl)-2-oxoethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

SpectraBase Compound ID	sdjrenoJxI
InChI	InChI=1S/C27H23ClN6O3S/c28-21-7-3-1-5-17(21)15-33-16-18(19-6-2-4-8-22(19)33)13-20-25(29)34-27(30-26(20)36)38-23(31-34)14-24(35)32-9-11-37-12-10-32/h1-8,13,16,29H,9-12,14-15H2/b20-13+,29-25?
InChIKey	CPZYESKCENXNAH-ZXLLOHKYSA-N Google Search
Mol Weight	547.03 g/mol
Molecular Formula	C27H23ClN6O3S
Exact Mass	546.124087 g/mol

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SpectraBase Spectrum ID	AYVl9K7Nf66
Name	(6E)-6-{[1-(2-chlorobenzyl)-1H-indol-3-yl]methylene}-5-imino-2-[2-(4-morpholinyl)-2-oxoethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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/C27H23ClN6O3S/c28-21-7-3-1-5-17(21)15-33-16-18(19-6-2-4-8-22(19)33)13-20-25(29)34-27(30-26(20)36)38-23(31-34)14-24(35)32-9-11-37-12-10-32/h1-8,13,16,29H,9-12,14-15H2/b20-13+,29-25?
InChIKey	CPZYESKCENXNAH-ZXLLOHKYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_21610
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: D55145; Labnumber: CEP5-1116; SBI_ID: SBI-021614
Synonyms	6-{[1-(2-chlorobenzyl)-1H-indol-3-yl]methylene}-5-imino-2-[2-(4-morpholinyl)-2-oxoethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature	315 °C