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

SpectraBase Compound ID	HmLW0oRey0Y
InChI	InChI=1S/C26H17ClN6OS/c27-21-9-3-1-6-17(21)14-32-15-18(19-8-2-4-10-22(19)32)12-20-23(28)33-26(30-24(20)34)35-25(31-33)16-7-5-11-29-13-16/h1-13,15,28H,14H2/b20-12+,28-23?
InChIKey	CEMIFBDSNXTMHW-QHKCELSSSA-N Google Search
Mol Weight	496.98 g/mol
Molecular Formula	C26H17ClN6OS
Exact Mass	496.087308 g/mol

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SpectraBase Spectrum ID	C9KMPDxeHB4
Name	(6E)-6-{[1-(2-chlorobenzyl)-1H-indol-3-yl]methylene}-5-imino-2-(3-pyridinyl)-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/C26H17ClN6OS/c27-21-9-3-1-6-17(21)14-32-15-18(19-8-2-4-10-22(19)32)12-20-23(28)33-26(30-24(20)34)35-25(31-33)16-7-5-11-29-13-16/h1-13,15,28H,14H2/b20-12+,28-23?
InChIKey	CEMIFBDSNXTMHW-QHKCELSSSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_21589
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: D55109; Labnumber: CEP5-0433; SBI_ID: SBI-021593
Synonyms	6-{[1-(2-chlorobenzyl)-1H-indol-3-yl]methylene}-5-imino-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature	315 °C