7-{1-[2-(4-Chlorophenyl)-6-iodo-4-oxo-3H-quinazolin-3-yl)]ethyl}-2,4-diphenyl-7,8-dihydro-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine

SpectraBase Compound ID	GolP8YsPou1
InChI	InChI=1S/C33H24ClIN6OS/c1-20(40-31(23-12-14-24(34)15-13-23)36-27-17-16-25(35)18-26(27)32(40)42)30-37-38-33-41(30)39-28(21-8-4-2-5-9-21)19-29(43-33)22-10-6-3-7-11-22/h2-18,20,29H,19H2,1H3
InChIKey	VZEVLKIHRQLTSA-UHFFFAOYSA-N Google Search
Mol Weight	715.0 g/mol
Molecular Formula	C33H24ClIN6OS
Exact Mass	714.046553 g/mol

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SpectraBase Spectrum ID	DPPAyCNtmOg
Name	7-{1-[2-(4-Chlorophenyl)-6-iodo-4-oxo-3H-quinazolin-3-yl)]ethyl}-2,4-diphenyl-7,8-dihydro-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine
Alternate Name(s)	2-(4-Chlorophenyl)-3-(1-(6,8-diphenyl-7,8-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepin-3-yl)ethyl)-6-iodoquinazolin-4(3H)-one 2-(4-Chlorophenyl)-3-[1-(6,8-diphenyl-7,8-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepin-3-yl)ethyl]-6-iodo-4-quinazolinone 2-(4-Chlorophenyl)-3-[1-(6,8-diphenyl-7,8-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepin-3-yl)ethyl]-6-iodoquinazolin-4-one 2-(4-Chlorophenyl)-3-[1-(6,8-diphenyl-7,8-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepin-3-yl)ethyl]-6-iodanyl-quinazolin-4-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C33H24ClIN6OS
InChI	InChI=1S/C33H24ClIN6OS/c1-20(40-31(23-12-14-24(34)15-13-23)36-27-17-16-25(35)18-26(27)32(40)42)30-37-38-33-41(30)39-28(21-8-4-2-5-9-21)19-29(43-33)22-10-6-3-7-11-22/h2-18,20,29H,19H2,1H3
InChIKey	VZEVLKIHRQLTSA-UHFFFAOYSA-N
Literature Reference DOI	10.1002/ardp.200700271
Molecular Weight	715.013 g/mol
SMILES	C1(=Nc2ccc(cc2C(N1C(C)c1[n]2c(SC(CC(=N2)c2ccccc2)c2ccccc2)nn1)=O)I)c1ccc(cc1)Cl
SPLASH	splash10-001l-8009000100-e148c9573875a0bd805f
Source of Spectrum	APC-341-384-22
Wiley ID	1768941