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N-(6-CHLORO-1,3-BENZOTHIAZOL-2-YL)-2-[(2-OXO-3-PHENYL-2H-[1,2,4]-TRIAZINO-[2,3-C]-QUINAZOLIN-6-YL)-THIO]-ACETAMIDE
SpectraBase Compound ID 9gYv20w2YE4
InChI InChI=1S/C25H15ClN6O2S2/c26-15-10-11-18-19(12-15)36-24(27-18)29-20(33)13-35-25-28-17-9-5-4-8-16(17)22-30-23(34)21(31-32(22)25)14-6-2-1-3-7-14/h1-12H,13H2,(H,27,29,33)
InChIKey NVANRQZBJFZDKP-UHFFFAOYSA-N
Mol Weight 531.01 g/mol
Molecular Formula C25H15ClN6O2S2
Exact Mass 530.038644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G10rOqBOM3g
Name N-(6-CHLORO-1,3-BENZOTHIAZOL-2-YL)-2-[(2-OXO-3-PHENYL-2H-[1,2,4]-TRIAZINO-[2,3-C]-QUINAZOLIN-6-YL)-THIO]-ACETAMIDE
Compound Number 5.7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H15ClN6O2S2
InChI InChI=1S/C25H15ClN6O2S2/c26-15-10-11-18-19(12-15)36-24(27-18)29-20(33)13-35-25-28-17-9-5-4-8-16(17)22-30-23(34)21(31-32(22)25)14-6-2-1-3-7-14/h1-12H,13H2,(H,27,29,33)
InChIKey NVANRQZBJFZDKP-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 531.006 g/mol
Sample ID 73536
Solvent DMSO-D6