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6-METHYL-4-(2-PHENYL-4(3H)-OXO-N3-QUINAZOLINYL)-3(2H)-THIOXO-5(4H)-OXO-1,2,4-TRIAZINE
SpectraBase Compound ID KLh6kDZmvT7
InChI InChI=1S/C18H13N5O2S/c1-11-16(24)23(18(26)21-20-11)22-15(12-7-3-2-4-8-12)19-14-10-6-5-9-13(14)17(22)25/h2-10H,1H3,(H,21,26)
InChIKey FLKVHCTZASJITL-UHFFFAOYSA-N
Mol Weight 363.4 g/mol
Molecular Formula C18H13N5O2S
Exact Mass 363.078996 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 89bJ1vPJN0k
Name 6-METHYL-4-(2-PHENYL-4(3H)-OXO-N3-QUINAZOLINYL)-3(2H)-THIOXO-5(4H)-OXO-1,2,4-TRIAZINE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H13N5O2S
InChI InChI=1S/C18H13N5O2S/c1-11-16(24)23(18(26)21-20-11)22-15(12-7-3-2-4-8-12)19-14-10-6-5-9-13(14)17(22)25/h2-10H,1H3,(H,21,26)
InChIKey FLKVHCTZASJITL-UHFFFAOYSA-N
Literature Reference Author A.A.EL-BARBARY,M.A.SAKRAN,A.M.EL-MADANI,C.NIELSEN
Literature Reference Citation J.HETCYCL.CHEM.,42,935(2005)
Literature Reference DOI 10.1002/jhet.5570420528
Molecular Weight 363.394 g/mol
Sample ID 60976
Solvent DMSO-D6