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(6Z)-6-{2-[2-(3,4-dimethylphenoxy)ethoxy]benzylidene}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 3PGhXZ2Qgsw
InChI InChI=1S/C25H26N4O3S/c1-4-7-22-28-29-23(26)20(24(30)27-25(29)33-22)15-18-8-5-6-9-21(18)32-13-12-31-19-11-10-16(2)17(3)14-19/h5-6,8-11,14-15,26H,4,7,12-13H2,1-3H3/b20-15-,26-23?
InChIKey NNXJOFLBVLEZQR-OIYMOPNQSA-N
Mol Weight 462.57 g/mol
Molecular Formula C25H26N4O3S
Exact Mass 462.172562 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FBvDEUhk9fC
Name (6Z)-6-{2-[2-(3,4-dimethylphenoxy)ethoxy]benzylidene}-5-imino-2-propyl-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/C25H26N4O3S/c1-4-7-22-28-29-23(26)20(24(30)27-25(29)33-22)15-18-8-5-6-9-21(18)32-13-12-31-19-11-10-16(2)17(3)14-19/h5-6,8-11,14-15,26H,4,7,12-13H2,1-3H3/b20-15-,26-23?
InChIKey NNXJOFLBVLEZQR-OIYMOPNQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3217
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: 115581; Labnumber: CEP2K-01322; VK_ID: VK-003218
Synonyms 6-{2-[2-(3,4-dimethylphenoxy)ethoxy]benzylidene}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C