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1-(4-BROMOPHENYL)-N-[2,3-DIHYDRO-4-HYDROXY-3-PHENYL-6-OXO-2-THIOXOPYRIMIDIN-1(6H)-YL]-5-PHENYL-1H-PYRAZOLE-3-CARBOXAMIDE
SpectraBase Compound ID 1KXtbrSSpYT
InChI InChI=1S/C26H18BrN5O3S/c27-18-11-13-20(14-12-18)31-22(17-7-3-1-4-8-17)15-21(28-31)25(35)29-32-24(34)16-23(33)30(26(32)36)19-9-5-2-6-10-19/h1-15H,16H2,(H,29,35)
InChIKey RUWRMJJYNWGOFB-UHFFFAOYSA-N
Mol Weight 560.43 g/mol
Molecular Formula C26H18BrN5O3S
Exact Mass 559.031374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5s91h3OgEcO
Name 1-(4-BROMOPHENYL)-N-[2,3-DIHYDRO-4-HYDROXY-3-PHENYL-6-OXO-2-THIOXOPYRIMIDIN-1(6H)-YL]-5-PHENYL-1H-PYRAZOLE-3-CARBOXAMIDE
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H18BrN5O3S
InChI InChI=1S/C26H18BrN5O3S/c27-18-11-13-20(14-12-18)31-22(17-7-3-1-4-8-17)15-21(28-31)25(35)29-32-24(34)16-23(33)30(26(32)36)19-9-5-2-6-10-19/h1-15H,16H2,(H,29,35)
InChIKey RUWRMJJYNWGOFB-UHFFFAOYSA-N
Literature Reference Author E.M.FLEFEL,R.E.ABDEL-MAGEID,W.A.TANTAWY,M.A.ALI,A.E.G.E.AMR
Literature Reference Citation ACTA.PHARM.,62,593(2012)
Molecular Weight 560.425 g/mol
Solvent DMSO-D6
Source File Reference UWLU78946