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2-[(3-METHYL-2-OXO-2H-[1,2,4]-TRIAZINO-[2,3-C]-QUINAZOLIN-6-YL)-THIO]-N-(5-PROPYL-1,3,4-THIADIAZOL-2-YL)-ACETAMIDE
SpectraBase Compound ID F9XdEkzzHh0
InChI InChI=1S/C18H17N7O2S2/c1-3-6-14-22-23-17(29-14)20-13(26)9-28-18-19-12-8-5-4-7-11(12)15-21-16(27)10(2)24-25(15)18/h4-5,7-8H,3,6,9H2,1-2H3,(H,20,23,26)
InChIKey CNKYTFOBWUAKEN-UHFFFAOYSA-N
Mol Weight 427.5 g/mol
Molecular Formula C18H17N7O2S2
Exact Mass 427.088515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HbOE8GM4YFM
Name 2-[(3-METHYL-2-OXO-2H-[1,2,4]-TRIAZINO-[2,3-C]-QUINAZOLIN-6-YL)-THIO]-N-(5-PROPYL-1,3,4-THIADIAZOL-2-YL)-ACETAMIDE
Compound Number 4.5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17N7O2S2
InChI InChI=1S/C18H17N7O2S2/c1-3-6-14-22-23-17(29-14)20-13(26)9-28-18-19-12-8-5-4-7-11(12)15-21-16(27)10(2)24-25(15)18/h4-5,7-8H,3,6,9H2,1-2H3,(H,20,23,26)
InChIKey CNKYTFOBWUAKEN-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 427.499 g/mol
Sample ID 73531
Solvent DMSO-D6