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(6E)-6-{[1-(2,5-dichlorophenyl)-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 ADcP5WJaSHl
InChI InChI=1S/C24H22Cl2N6O3S/c1-13-9-15(14(2)31(13)19-11-16(25)3-4-18(19)26)10-17-22(27)32-24(28-23(17)34)36-20(29-32)12-21(33)30-5-7-35-8-6-30/h3-4,9-11,27H,5-8,12H2,1-2H3/b17-10+,27-22?
InChIKey XTKOJWBDRMVKPH-QAUTUDTGSA-N
Mol Weight 545.45 g/mol
Molecular Formula C24H22Cl2N6O3S
Exact Mass 544.085115 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4Ca5OevFKtG
Name (6E)-6-{[1-(2,5-dichlorophenyl)-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/C24H22Cl2N6O3S/c1-13-9-15(14(2)31(13)19-11-16(25)3-4-18(19)26)10-17-22(27)32-24(28-23(17)34)36-20(29-32)12-21(33)30-5-7-35-8-6-30/h3-4,9-11,27H,5-8,12H2,1-2H3/b17-10+,27-22?
InChIKey XTKOJWBDRMVKPH-QAUTUDTGSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4198
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: E01113; Labnumber: CEP5-1078; SBI_ID: SBI-004200
Synonyms 6-{[1-(2,5-dichlorophenyl)-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