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N-(6-CHLORO-1,3-BENZOTHIAZOL-2-YL)-2-[(3-METHYL-2-OXO-2H-[1,2,4]-TRIAZINO-[2,3-C]-QUINAZOLIN-6-YL)-THIO]-ACETAMIDE
SpectraBase Compound ID KRO0SIsebTv
InChI InChI=1S/C20H13ClN6O2S2/c1-10-18(29)25-17-12-4-2-3-5-13(12)23-20(27(17)26-10)30-9-16(28)24-19-22-14-7-6-11(21)8-15(14)31-19/h2-8H,9H2,1H3,(H,22,24,28)
InChIKey BEDRZCQTLCNCCF-UHFFFAOYSA-N
Mol Weight 468.94 g/mol
Molecular Formula C20H13ClN6O2S2
Exact Mass 468.022994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CAZ7p0WRiz1
Name N-(6-CHLORO-1,3-BENZOTHIAZOL-2-YL)-2-[(3-METHYL-2-OXO-2H-[1,2,4]-TRIAZINO-[2,3-C]-QUINAZOLIN-6-YL)-THIO]-ACETAMIDE
Compound Number 5.6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H13ClN6O2S2
InChI InChI=1S/C20H13ClN6O2S2/c1-10-18(29)25-17-12-4-2-3-5-13(12)23-20(27(17)26-10)30-9-16(28)24-19-22-14-7-6-11(21)8-15(14)31-19/h2-8H,9H2,1H3,(H,22,24,28)
InChIKey BEDRZCQTLCNCCF-UHFFFAOYSA-N
Literature Reference Author S.I.KOVALENKO,I.S.NOSULENKO,A.Y.VOSKOBOYNIK,G.G.BEREST,L.N.A NTYPENKO,A.N.ANTYPEN
Literature Reference Citation SCI.PHARM.,80,837(2012)
Molecular Weight 468.935 g/mol
Sample ID 73535
Solvent DMSO-D6