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

SpectraBase Compound ID	Khb66Hkv8M1
InChI	InChI=1S/C26H23N5O2S/c1-16-8-7-9-20(12-16)30-17(2)13-19(18(30)3)14-22-24(27)31-26(28-25(22)32)34-23(29-31)15-33-21-10-5-4-6-11-21/h4-14,27H,15H2,1-3H3/b22-14+,27-24?
InChIKey	WIUWTWLWAAPOHS-MBTIHVDPSA-N Google Search
Mol Weight	469.56 g/mol
Molecular Formula	C26H23N5O2S
Exact Mass	469.157246 g/mol

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SpectraBase Spectrum ID	LdOzIzRYgkS
Name	(6E)-6-{[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methylene}-5-imino-2-(phenoxymethyl)-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/C26H23N5O2S/c1-16-8-7-9-20(12-16)30-17(2)13-19(18(30)3)14-22-24(27)31-26(28-25(22)32)34-23(29-31)15-33-21-10-5-4-6-11-21/h4-14,27H,15H2,1-3H3/b22-14+,27-24?
InChIKey	WIUWTWLWAAPOHS-MBTIHVDPSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4174
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: E01082; Labnumber: CEP4-1507; SBI_ID: SBI-004176
Synonyms	6-{[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methylene}-5-imino-2-(phenoxymethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature	318 °C