(6E)-6-{[1-(2,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-phenyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

SpectraBase Compound ID	4ve8Iv7l2Si
InChI	InChI=1S/C26H23N5OS/c1-15-10-11-16(2)22(12-15)30-17(3)13-20(18(30)4)14-21-23(27)31-26(28-24(21)32)33-25(29-31)19-8-6-5-7-9-19/h5-14,27H,1-4H3/b21-14+,27-23?
InChIKey	WNKFVBFVNUDXSK-DVELLGFNSA-N Google Search
Mol Weight	453.56 g/mol
Molecular Formula	C26H23N5OS
Exact Mass	453.162332 g/mol

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SpectraBase Spectrum ID	E3s8b7gMrk6
Name	(6E)-6-{[1-(2,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-phenyl-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/C26H23N5OS/c1-15-10-11-16(2)22(12-15)30-17(3)13-20(18(30)4)14-21-23(27)31-26(28-24(21)32)33-25(29-31)19-8-6-5-7-9-19/h5-14,27H,1-4H3/b21-14+,27-23?
InChIKey	WNKFVBFVNUDXSK-DVELLGFNSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4161
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: E01067; Labnumber: CEP4-1258; SBI_ID: SBI-004163
Synonyms	6-{[1-(2,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-phenyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature	318 °C