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

SpectraBase Compound ID	FQEbNOyGC1X
InChI	InChI=1S/C27H31N5O2S/c1-17-15-20(18(2)31(17)22-11-7-8-12-23(22)34-3)16-21-25(28)32-27(29-26(21)33)35-24(30-32)14-13-19-9-5-4-6-10-19/h7-8,11-12,15-16,19,28H,4-6,9-10,13-14H2,1-3H3/b21-16+,28-25?
InChIKey	QDBGCRGKIZTVAD-UKHUTJJTSA-N Google Search
Mol Weight	489.64 g/mol
Molecular Formula	C27H31N5O2S
Exact Mass	489.219846 g/mol

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SpectraBase Spectrum ID	B2QTfOOurdv
Name	(6E)-2-(2-cyclohexylethyl)-5-imino-6-{[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-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/C27H31N5O2S/c1-17-15-20(18(2)31(17)22-11-7-8-12-23(22)34-3)16-21-25(28)32-27(29-26(21)33)35-24(30-32)14-13-19-9-5-4-6-10-19/h7-8,11-12,15-16,19,28H,4-6,9-10,13-14H2,1-3H3/b21-16+,28-25?
InChIKey	QDBGCRGKIZTVAD-UKHUTJJTSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_28203
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: D80996; Labnumber: CEP4-5085; SBI_ID: SBI-028207
Synonyms	2-(2-cyclohexylethyl)-5-imino-6-{[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature	318 °C