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3-BROMO-2-METHYL-7-[1-[4-(2-PYRIMIDINYL)-PIPERAZINYL]]-METHYL-6,7-DIHYDRO-2H-OXAZOLO-[3,2-B]-PYRAZOLO-[4,3-E]-[1,2,4]-THIADIAZINE-9,9-DIOXIDE

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3-BROMO-2-METHYL-7-[1-[4-(2-PYRIMIDINYL)-PIPERAZINYL]]-METHYL-6,7-DIHYDRO-2H-OXAZOLO-[3,2-B]-PYRAZOLO-[4,3-E]-[1,2,4]-THIADIAZINE-9,9-DIOXIDE
SpectraBase Compound ID 2GgQiCTNOf
InChI InChI=1S/C16H19BrN8O3S/c1-22-13(17)12-14(21-22)29(26,27)25-11(10-28-16(25)20-12)9-23-5-7-24(8-6-23)15-18-3-2-4-19-15/h2-4,11H,5-10H2,1H3
InChIKey DHHFYGUUUVCLKE-UHFFFAOYSA-N
Mol Weight 483.35 g/mol
Molecular Formula C16H19BrN8O3S
Exact Mass 482.048421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BJfjBgGibpa
Name 3-BROMO-2-METHYL-7-[1-[4-(2-PYRIMIDINYL)-PIPERAZINYL]]-METHYL-6,7-DIHYDRO-2H-OXAZOLO-[3,2-B]-PYRAZOLO-[4,3-E]-[1,2,4]-THIADIAZINE-9,9-DIOXIDE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H19BrN8O3S
InChI InChI=1S/C16H19BrN8O3S/c1-22-13(17)12-14(21-22)29(26,27)25-11(10-28-16(25)20-12)9-23-5-7-24(8-6-23)15-18-3-2-4-19-15/h2-4,11H,5-10H2,1H3
InChIKey DHHFYGUUUVCLKE-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 483.343 g/mol
Sample ID 61124
Solvent DMSO-D6