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2-[(2-OXO-3-PHENYL-2H-[1,2,4]-TRIAZINO-[2,3-C]-QUINAZOLIN-6-YL)-THIO]-N-(1,3-THIAZOL-2-YL)-ACETAMIDE
SpectraBase Compound ID ERCNzLhF1wJ
InChI InChI=1S/C21H14N6O2S2/c28-16(24-20-22-10-11-30-20)12-31-21-23-15-9-5-4-8-14(15)18-25-19(29)17(26-27(18)21)13-6-2-1-3-7-13/h1-11H,12H2,(H,22,24,28)
InChIKey DOLYWTRLHUTLNG-UHFFFAOYSA-N
Mol Weight 446.5 g/mol
Molecular Formula C21H14N6O2S2
Exact Mass 446.061966 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5cSyFALlr6y
Name 2-[(2-OXO-3-PHENYL-2H-[1,2,4]-TRIAZINO-[2,3-C]-QUINAZOLIN-6-YL)-THIO]-N-(1,3-THIAZOL-2-YL)-ACETAMIDE
Compound Number 3.2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H14N6O2S2
InChI InChI=1S/C21H14N6O2S2/c28-16(24-20-22-10-11-30-20)12-31-21-23-15-9-5-4-8-14(15)18-25-19(29)17(26-27(18)21)13-6-2-1-3-7-13/h1-11H,12H2,(H,22,24,28)
InChIKey DOLYWTRLHUTLNG-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 446.501 g/mol
Sample ID 73529
Solvent DMSO-D6