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(6E)-6-[3-bromo-4-(dimethylamino)benzylidene]-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 LUa6fK0YtuX
InChI InChI=1S/C20H21BrN6O3S/c1-25(2)15-4-3-12(10-14(15)21)9-13-18(22)27-20(23-19(13)29)31-16(24-27)11-17(28)26-5-7-30-8-6-26/h3-4,9-10,22H,5-8,11H2,1-2H3/b13-9+,22-18?
InChIKey MIPOILFRNBXDTH-IASXGRABSA-N
Mol Weight 505.39 g/mol
Molecular Formula C20H21BrN6O3S
Exact Mass 504.057923 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bu7gc2p3duQ
Name (6E)-6-[3-bromo-4-(dimethylamino)benzylidene]-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/C20H21BrN6O3S/c1-25(2)15-4-3-12(10-14(15)21)9-13-18(22)27-20(23-19(13)29)31-16(24-27)11-17(28)26-5-7-30-8-6-26/h3-4,9-10,22H,5-8,11H2,1-2H3/b13-9+,22-18?
InChIKey MIPOILFRNBXDTH-IASXGRABSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25880
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: D61703; Labnumber: CEP5-0515; SBI_ID: SBI-025884
Synonyms 6-[3-bromo-4-(dimethylamino)benzylidene]-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