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6-METHYL-2-[3-[1-[4-(2-PYRIDYL)-PIPERAZINYL]]-PROPYL]-4,6-DIHYDROPYRAZOLO-[4,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE-MONO-HYDROBROMIDE

View entire compound with spectra: 1 NMR

6-METHYL-2-[3-[1-[4-(2-PYRIDYL)-PIPERAZINYL]]-PROPYL]-4,6-DIHYDROPYRAZOLO-[4,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE-MONO-HYDROBROMIDE
SpectraBase Compound ID Be7W07fU7hO
InChI InChI=1S/C17H23N7O3S.BrH/c1-21-13-14-16(20-21)28(26,27)24(17(25)19-14)8-4-7-22-9-11-23(12-10-22)15-5-2-3-6-18-15;/h2-3,5-6,13H,4,7-12H2,1H3,(H,19,25);1H
InChIKey SNDUQRFPEFPWEP-UHFFFAOYSA-N
Mol Weight 486.39 g/mol
Molecular Formula C17H24BrN7O3S
Exact Mass 485.084472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CiYIbRwscyx
Name 6-METHYL-2-[3-[1-[4-(2-PYRIDYL)-PIPERAZINYL]]-PROPYL]-4,6-DIHYDROPYRAZOLO-[4,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE-MONO-HYDROBROMIDE
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H24BrN7O3S
InChI InChI=1S/C17H23N7O3S.BrH/c1-21-13-14-16(20-21)28(26,27)24(17(25)19-14)8-4-7-22-9-11-23(12-10-22)15-5-2-3-6-18-15;/h2-3,5-6,13H,4,7-12H2,1H3,(H,19,25);1H
InChIKey SNDUQRFPEFPWEP-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 486.387 g/mol
Sample ID 61110
Solvent CDCl3