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6-CYANO-2-METHYLSULFANYL-5,7-DIPHENYL-5,8-DIHYDROPYRIDO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID E3IC29jT2CY
InChI InChI=1S/C21H16N4OS/c1-27-21-24-19-17(20(26)25-21)16(13-8-4-2-5-9-13)15(12-22)18(23-19)14-10-6-3-7-11-14/h2-11,16H,1H3,(H2,23,24,25,26)
InChIKey ZGGULVSKBDHLQK-UHFFFAOYSA-N
Mol Weight 372.45 g/mol
Molecular Formula C21H16N4OS
Exact Mass 372.104482 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AhcuSUI5Rru
Name 6-CYANO-2-METHYLSULFANYL-5,7-DIPHENYL-5,8-DIHYDROPYRIDO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
Compound Number 5R
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H16N4OS
InChI InChI=1S/C21H16N4OS/c1-27-21-24-19-17(20(26)25-21)16(13-8-4-2-5-9-13)15(12-22)18(23-19)14-10-6-3-7-11-14/h2-11,16H,1H3,(H2,23,24,25,26)
InChIKey ZGGULVSKBDHLQK-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 372.444 g/mol
Sample ID 67243
Solvent DMSO-D6