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(6Z)-5-imino-6-{3-methoxy-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 BPAHvCll2bH
InChI InChI=1S/C28H25N5O5S/c1-35-21-8-3-4-9-22(21)37-13-6-14-38-23-11-10-18(16-24(23)36-2)15-20-25(29)33-28(31-26(20)34)39-27(32-33)19-7-5-12-30-17-19/h3-5,7-12,15-17,29H,6,13-14H2,1-2H3/b20-15-,29-25?
InChIKey YSOJWBQAFNKMLH-CGEIFPEOSA-N
Mol Weight 543.6 g/mol
Molecular Formula C28H25N5O5S
Exact Mass 543.15764 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1NJzxf3gjmj
Name (6Z)-5-imino-6-{3-methoxy-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/C28H25N5O5S/c1-35-21-8-3-4-9-22(21)37-13-6-14-38-23-11-10-18(16-24(23)36-2)15-20-25(29)33-28(31-26(20)34)39-27(32-33)19-7-5-12-30-17-19/h3-5,7-12,15-17,29H,6,13-14H2,1-2H3/b20-15-,29-25?
InChIKey YSOJWBQAFNKMLH-CGEIFPEOSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21609
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: D55144; Labnumber: CEP5-1057; SBI_ID: SBI-021613
Synonyms 5-imino-6-{3-methoxy-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