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(6E)-2-(1-ethylpropyl)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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(6E)-2-(1-ethylpropyl)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 4uJRgQdWFOv
InChI InChI=1S/C19H22N4O4S/c1-5-11(6-2)18-22-23-16(20)12(17(25)21-19(23)28-18)7-10-8-13(26-3)15(24)14(9-10)27-4/h7-9,11,20,24H,5-6H2,1-4H3/b12-7+,20-16?
InChIKey WJRKIGDUSPWNAK-MLJXOOBISA-N
Mol Weight 402.47 g/mol
Molecular Formula C19H22N4O4S
Exact Mass 402.136176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E6usect2Alh
Name (6E)-2-(1-ethylpropyl)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-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/C19H22N4O4S/c1-5-11(6-2)18-22-23-16(20)12(17(25)21-19(23)28-18)7-10-8-13(26-3)15(24)14(9-10)27-4/h7-9,11,20,24H,5-6H2,1-4H3/b12-7+,20-16?
InChIKey WJRKIGDUSPWNAK-MLJXOOBISA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25802
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: D61695; Labnumber: CEP4-3787; SBI_ID: SBI-025806
Synonyms 2-(1-ethylpropyl)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C