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(6Z)-6-{[5-(3-chloro-4-methylphenyl)-2-furyl]methylene}-2-(1-ethylpropyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 3hNcXRJQDq5
InChI InChI=1S/C22H21ClN4O2S/c1-4-13(5-2)21-26-27-19(24)16(20(28)25-22(27)30-21)11-15-8-9-18(29-15)14-7-6-12(3)17(23)10-14/h6-11,13,24H,4-5H2,1-3H3/b16-11-,24-19?
InChIKey FWTURAIMIGOBCV-MLDLNWIHSA-N
Mol Weight 440.95 g/mol
Molecular Formula C22H21ClN4O2S
Exact Mass 440.107375 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HfNinB3cpBg
Name (6Z)-6-{[5-(3-chloro-4-methylphenyl)-2-furyl]methylene}-2-(1-ethylpropyl)-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/C22H21ClN4O2S/c1-4-13(5-2)21-26-27-19(24)16(20(28)25-22(27)30-21)11-15-8-9-18(29-15)14-7-6-12(3)17(23)10-14/h6-11,13,24H,4-5H2,1-3H3/b16-11-,24-19?
InChIKey FWTURAIMIGOBCV-MLDLNWIHSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25847
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: D61667; Labnumber: CEP4-3659; SBI_ID: SBI-025851
Synonyms 6-{[5-(3-chloro-4-methylphenyl)-2-furyl]methylene}-2-(1-ethylpropyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C