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2-[3-[1-[4-(2-PYRIMIDINYL)-PIPERAZINYL]]-PROPYL]-2H-THIENO-[2,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE-MONO-HYDROBROMIDE

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2-[3-[1-[4-(2-PYRIMIDINYL)-PIPERAZINYL]]-PROPYL]-2H-THIENO-[2,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE-MONO-HYDROBROMIDE
SpectraBase Compound ID JixKH4Jk1Sj
InChI InChI=1S/C16H20N6O3S2.BrH/c23-16-19-14-13(3-12-26-14)27(24,25)22(16)7-2-6-20-8-10-21(11-9-20)15-17-4-1-5-18-15;/h1,3-5,12H,2,6-11H2,(H,19,23);1H
InChIKey VUKIHWNATDQFTR-UHFFFAOYSA-N
Mol Weight 489.41 g/mol
Molecular Formula C16H21BrN6O3S2
Exact Mass 488.029994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HsGElWQZ8AJ
Name 2-[3-[1-[4-(2-PYRIMIDINYL)-PIPERAZINYL]]-PROPYL]-2H-THIENO-[2,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE-MONO-HYDROBROMIDE
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H21BrN6O3S2
InChI InChI=1S/C16H20N6O3S2.BrH/c23-16-19-14-13(3-12-26-14)27(24,25)22(16)7-2-6-20-8-10-21(11-9-20)15-17-4-1-5-18-15;/h1,3-5,12H,2,6-11H2,(H,19,23);1H
InChIKey VUKIHWNATDQFTR-UHFFFAOYSA-N
Literature Reference Author S.VEGA,M.E.ARRANZ,V.J.ARAN
Literature Reference Citation J.HETCYCL.CHEM.,42,763(2005)
Literature Reference DOI 10.1002/jhet.5570420504
Molecular Weight 489.405 g/mol
Sample ID 61101
Solvent DMSO-D6