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5-(4-CHLOROPHENYL)-6-CYANO-2-METHYLSULFANYL-3-METHYL-7-PHENYL-5,8-DIHYDROPYRIDO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID JgMIhQRogy1
InChI InChI=1S/C22H17ClN4OS/c1-27-21(28)18-17(13-8-10-15(23)11-9-13)16(12-24)19(14-6-4-3-5-7-14)25-20(18)26-22(27)29-2/h3-11,17,25H,1-2H3
InChIKey LXWGWVRNKRKYJN-UHFFFAOYSA-N
Mol Weight 420.92 g/mol
Molecular Formula C22H17ClN4OS
Exact Mass 420.08116 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5scRMKlSnbt
Name 5-(4-CHLOROPHENYL)-6-CYANO-2-METHYLSULFANYL-3-METHYL-7-PHENYL-5,8-DIHYDROPYRIDO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
Compound Number 5M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H17ClN4OS
InChI InChI=1S/C22H17ClN4OS/c1-27-21(28)18-17(13-8-10-15(23)11-9-13)16(12-24)19(14-6-4-3-5-7-14)25-20(18)26-22(27)29-2/h3-11,17,25H,1-2H3
InChIKey LXWGWVRNKRKYJN-UHFFFAOYSA-N
Literature Reference Author J.QUIROGA,C.CISNEROS,B.INSUASTY,R.ABONIA,S.CRUZ,M.NOGUERAS,J .M.DELATORRE,M.SORTI
Literature Reference Citation J.HETCYCL.CHEM.,43,299(2006)
Literature Reference DOI 10.1002/jhet.5570430208
Molecular Weight 420.916 g/mol
Sample ID 67238
Solvent DMSO-D6