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6-METHYL-2-[3-[1-[4-(2-PYRIMIDINYL)-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-PYRIMIDINYL)-PIPERAZINYL]]-PROPYL]-4,6-DIHYDROPYRAZOLO-[4,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE-MONO-HYDROBROMIDE
SpectraBase Compound ID 89jgFsdYtzx
InChI InChI=1S/C16H22N8O3S.BrH/c1-21-12-13-14(20-21)28(26,27)24(16(25)19-13)7-3-6-22-8-10-23(11-9-22)15-17-4-2-5-18-15;/h2,4-5,12H,3,6-11H2,1H3,(H,19,25);1H
InChIKey QVTKJSBYXVYMHE-UHFFFAOYSA-N
Mol Weight 487.38 g/mol
Molecular Formula C16H23BrN8O3S
Exact Mass 486.079721 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KlCglmfJ3V7
Name 6-METHYL-2-[3-[1-[4-(2-PYRIMIDINYL)-PIPERAZINYL]]-PROPYL]-4,6-DIHYDROPYRAZOLO-[4,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE-MONO-HYDROBROMIDE
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H23BrN8O3S
InChI InChI=1S/C16H22N8O3S.BrH/c1-21-12-13-14(20-21)28(26,27)24(16(25)19-13)7-3-6-22-8-10-23(11-9-22)15-17-4-2-5-18-15;/h2,4-5,12H,3,6-11H2,1H3,(H,19,25);1H
InChIKey QVTKJSBYXVYMHE-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 487.374 g/mol
Sample ID 61111
Solvent CDCl3