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2-[(2-OXO-3-PHENYL-2H-[1,2,4]-TRIAZINO-[2,3-C]-QUINAZOLIN-6-YL)-THIO]-N-(1,3,4-THIADIAZOL-2-YL)-ACETAMIDE
SpectraBase Compound ID 6kyEfGcXCgF
InChI InChI=1S/C20H13N7O2S2/c28-15(23-19-25-21-11-31-19)10-30-20-22-14-9-5-4-8-13(14)17-24-18(29)16(26-27(17)20)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,23,25,28)
InChIKey ULOKNAVMPOECIJ-UHFFFAOYSA-N
Mol Weight 447.49 g/mol
Molecular Formula C20H13N7O2S2
Exact Mass 447.057215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ERTKNX3Q68H
Name 2-[(2-OXO-3-PHENYL-2H-[1,2,4]-TRIAZINO-[2,3-C]-QUINAZOLIN-6-YL)-THIO]-N-(1,3,4-THIADIAZOL-2-YL)-ACETAMIDE
Compound Number 4.2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H13N7O2S2
InChI InChI=1S/C20H13N7O2S2/c28-15(23-19-25-21-11-31-19)10-30-20-22-14-9-5-4-8-13(14)17-24-18(29)16(26-27(17)20)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,23,25,28)
InChIKey ULOKNAVMPOECIJ-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 447.489 g/mol
Sample ID 73530
Solvent DMSO-D6