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(6E)-6-{[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 8raBVkQEOSd
InChI InChI=1S/C23H17FN6OS/c1-13-10-16(14(2)29(13)19-8-4-3-7-18(19)24)11-17-20(25)30-23(27-21(17)31)32-22(28-30)15-6-5-9-26-12-15/h3-12,25H,1-2H3/b17-11+,25-20?
InChIKey UFMVVKSPJMITBV-BVDVPRQSSA-N
Mol Weight 444.49 g/mol
Molecular Formula C23H17FN6OS
Exact Mass 444.116859 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dm96efI7bEB
Name (6E)-6-{[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-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/C23H17FN6OS/c1-13-10-16(14(2)29(13)19-8-4-3-7-18(19)24)11-17-20(25)30-23(27-21(17)31)32-22(28-30)15-6-5-9-26-12-15/h3-12,25H,1-2H3/b17-11+,25-20?
InChIKey UFMVVKSPJMITBV-BVDVPRQSSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21580
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: D55096; Labnumber: CEP5-0172; SBI_ID: SBI-021584
Synonyms 6-{[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 315 °C