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2-METHYL-6-[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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2-METHYL-6-[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 KmxPhHthCBt
InChI InChI=1S/C16H20N8O3S/c1-21-11-13-14(20-21)28(25,26)24-10-12(27-16(24)19-13)9-22-5-7-23(8-6-22)15-17-3-2-4-18-15/h2-4,11-12H,5-10H2,1H3
InChIKey AKBPEAQJZHSVKK-UHFFFAOYSA-N
Mol Weight 404.45 g/mol
Molecular Formula C16H20N8O3S
Exact Mass 404.137908 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5WBav8axsQR
Name 2-METHYL-6-[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 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20N8O3S
InChI InChI=1S/C16H20N8O3S/c1-21-11-13-14(20-21)28(25,26)24-10-12(27-16(24)19-13)9-22-5-7-23(8-6-22)15-17-3-2-4-18-15/h2-4,11-12H,5-10H2,1H3
InChIKey AKBPEAQJZHSVKK-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 404.447 g/mol
Sample ID 61121
Solvent CDCl3