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

SpectraBase Compound ID	JbveoDDBGBu
InChI	InChI=1S/C24H21N5O2S/c1-4-16-8-5-6-9-19(16)28-14(2)12-17(15(28)3)13-18-21(25)29-24(26-22(18)30)32-23(27-29)20-10-7-11-31-20/h5-13,25H,4H2,1-3H3/b18-13+,25-21?
InChIKey	BMQJGXVAWMZAIP-MRKXPFMVSA-N Google Search
Mol Weight	443.53 g/mol
Molecular Formula	C24H21N5O2S
Exact Mass	443.141596 g/mol

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SpectraBase Spectrum ID	ERDFsOEuLX0
Name	(6E)-6-{[1-(2-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-(2-furyl)-5-imino-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/C24H21N5O2S/c1-4-16-8-5-6-9-19(16)28-14(2)12-17(15(28)3)13-18-21(25)29-24(26-22(18)30)32-23(27-29)20-10-7-11-31-20/h5-13,25H,4H2,1-3H3/b18-13+,25-21?
InChIKey	BMQJGXVAWMZAIP-MRKXPFMVSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4156
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: E01060; Labnumber: CEP4-1152; SBI_ID: SBI-004158
Synonyms	6-{[1-(2-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-(2-furyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature	318 °C