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

SpectraBase Compound ID	XhyHs8zJzt
InChI	InChI=1S/C26H28N6O3S/c1-4-18-7-5-6-8-21(18)31-16(2)13-19(17(31)3)14-20-24(27)32-26(28-25(20)34)36-22(29-32)15-23(33)30-9-11-35-12-10-30/h5-8,13-14,27H,4,9-12,15H2,1-3H3/b20-14+,27-24?
InChIKey	DEWVEOAKBDJTOB-KXYLLZDBSA-N Google Search
Mol Weight	504.61 g/mol
Molecular Formula	C26H28N6O3S
Exact Mass	504.19436 g/mol

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SpectraBase Spectrum ID	AKysCeIKcjr
Name	(6E)-6-{[1-(2-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-[2-(4-morpholinyl)-2-oxoethyl]-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/C26H28N6O3S/c1-4-18-7-5-6-8-21(18)31-16(2)13-19(17(31)3)14-20-24(27)32-26(28-25(20)34)36-22(29-32)15-23(33)30-9-11-35-12-10-30/h5-8,13-14,27H,4,9-12,15H2,1-3H3/b20-14+,27-24?
InChIKey	DEWVEOAKBDJTOB-KXYLLZDBSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4196
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: E01111; Labnumber: CEP5-0510; SBI_ID: SBI-004198
Synonyms	6-{[1-(2-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-[2-(4-morpholinyl)-2-oxoethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature	318 °C