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(6Z)-5-imino-6-({1-[3-(3-methylphenoxy)propyl]-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 FjKIbE8Yjnp
InChI InChI=1S/C29H24N6O2S/c1-19-7-4-9-22(15-19)37-14-6-13-34-18-21(23-10-2-3-11-25(23)34)16-24-26(30)35-29(32-27(24)36)38-28(33-35)20-8-5-12-31-17-20/h2-5,7-12,15-18,30H,6,13-14H2,1H3/b24-16-,30-26?
InChIKey OUSVLONKCPSFLC-LLIKLIDUSA-N
Mol Weight 520.61 g/mol
Molecular Formula C29H24N6O2S
Exact Mass 520.168145 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KxOtKGj2bLY
Name (6Z)-5-imino-6-({1-[3-(3-methylphenoxy)propyl]-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/C29H24N6O2S/c1-19-7-4-9-22(15-19)37-14-6-13-34-18-21(23-10-2-3-11-25(23)34)16-24-26(30)35-29(32-27(24)36)38-28(33-35)20-8-5-12-31-17-20/h2-5,7-12,15-18,30H,6,13-14H2,1H3/b24-16-,30-26?
InChIKey OUSVLONKCPSFLC-LLIKLIDUSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24507
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: D46782; Labnumber: CEP5-0693; SBI_ID: SBI-024511
Synonyms 5-imino-6-({1-[3-(3-methylphenoxy)propyl]-1H-indol-3-yl}methylene)-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C