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(6Z)-5-imino-6-{4-[3-(2-methoxyphenoxy)propoxy]benzylidene}-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 1zwAcOmGBpK
InChI InChI=1S/C27H23N5O4S/c1-34-22-7-2-3-8-23(22)36-15-5-14-35-20-11-9-18(10-12-20)16-21-24(28)32-27(30-25(21)33)37-26(31-32)19-6-4-13-29-17-19/h2-4,6-13,16-17,28H,5,14-15H2,1H3/b21-16-,28-24?
InChIKey HLENGFVHFIGQPJ-XNNCMUMCSA-N
Mol Weight 513.57 g/mol
Molecular Formula C27H23N5O4S
Exact Mass 513.147075 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BSuMsO5gcvU
Name (6Z)-5-imino-6-{4-[3-(2-methoxyphenoxy)propoxy]benzylidene}-2-(3-pyridinyl)-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/C27H23N5O4S/c1-34-22-7-2-3-8-23(22)36-15-5-14-35-20-11-9-18(10-12-20)16-21-24(28)32-27(30-25(21)33)37-26(31-32)19-6-4-13-29-17-19/h2-4,6-13,16-17,28H,5,14-15H2,1H3/b21-16-,28-24?
InChIKey HLENGFVHFIGQPJ-XNNCMUMCSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21598
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: D55121; Labnumber: CEP5-0604; SBI_ID: SBI-021602
Synonyms 5-imino-6-{4-[3-(2-methoxyphenoxy)propoxy]benzylidene}-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 315 °C