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5-(4-CHLOROPHENYL)-6-CYANO-2-METHYLSULFANYL-7-PHENYL-5,8-DIHYDROPYRIDO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID LMwdGxruFJT
InChI InChI=1S/C21H15ClN4OS/c1-28-21-25-19-17(20(27)26-21)16(12-7-9-14(22)10-8-12)15(11-23)18(24-19)13-5-3-2-4-6-13/h2-10,16H,1H3,(H2,24,25,26,27)
InChIKey ORBVFRXBEXXKBK-UHFFFAOYSA-N
Mol Weight 406.89 g/mol
Molecular Formula C21H15ClN4OS
Exact Mass 406.06551 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 35Tz9Drei4F
Name 5-(4-CHLOROPHENYL)-6-CYANO-2-METHYLSULFANYL-7-PHENYL-5,8-DIHYDROPYRIDO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
Compound Number 5L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H15ClN4OS
InChI InChI=1S/C21H15ClN4OS/c1-28-21-25-19-17(20(27)26-21)16(12-7-9-14(22)10-8-12)15(11-23)18(24-19)13-5-3-2-4-6-13/h2-10,16H,1H3,(H2,24,25,26,27)
InChIKey ORBVFRXBEXXKBK-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 406.889 g/mol
Sample ID 67237
Solvent DMSO-D6