(6E)-6-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-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	BDAKTDABAoB
InChI	InChI=1S/C27H25N5O2S/c1-16-10-11-21(12-17(16)2)31-18(3)13-20(19(31)4)14-23-25(28)32-27(29-26(23)33)35-24(30-32)15-34-22-8-6-5-7-9-22/h5-14,28H,15H2,1-4H3/b23-14+,28-25?
InChIKey	DWQNFUWUNCCJOE-YNRWKYOSSA-N Google Search
Mol Weight	483.59 g/mol
Molecular Formula	C27H25N5O2S
Exact Mass	483.172896 g/mol

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SpectraBase Spectrum ID	HVNLo4rFdqe
Name	(6E)-6-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-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/C27H25N5O2S/c1-16-10-11-21(12-17(16)2)31-18(3)13-20(19(31)4)14-23-25(28)32-27(29-26(23)33)35-24(30-32)15-34-22-8-6-5-7-9-22/h5-14,28H,15H2,1-4H3/b23-14+,28-25?
InChIKey	DWQNFUWUNCCJOE-YNRWKYOSSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4181
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	ACETONE-d6
Source File Reference	VendorID: E01091; Labnumber: CEP4-1714; SBI_ID: SBI-004183
Synonyms	6-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-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