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(6E)-5-imino-6-({1-[2-(2-methylphenoxy)ethyl]-1H-indol-3-yl}methylene)-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 350rHYVALYd
InChI InChI=1S/C28H22N6O2S/c1-18-7-2-5-11-24(18)36-14-13-33-17-20(21-9-3-4-10-23(21)33)15-22-25(29)34-28(31-26(22)35)37-27(32-34)19-8-6-12-30-16-19/h2-12,15-17,29H,13-14H2,1H3/b22-15+,29-25?
InChIKey LLAPYFUJQQZMIC-CGVBMLBPSA-N
Mol Weight 506.58 g/mol
Molecular Formula C28H22N6O2S
Exact Mass 506.152495 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GxazKELeevu
Name (6E)-5-imino-6-({1-[2-(2-methylphenoxy)ethyl]-1H-indol-3-yl}methylene)-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/C28H22N6O2S/c1-18-7-2-5-11-24(18)36-14-13-33-17-20(21-9-3-4-10-23(21)33)15-22-25(29)34-28(31-26(22)35)37-27(32-34)19-8-6-12-30-16-19/h2-12,15-17,29H,13-14H2,1H3/b22-15+,29-25?
InChIKey LLAPYFUJQQZMIC-CGVBMLBPSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21592
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: D55114; Labnumber: CEP5-0539; SBI_ID: SBI-021596
Synonyms 5-imino-6-({1-[2-(2-methylphenoxy)ethyl]-1H-indol-3-yl}methylene)-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 315 °C