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6-CYANO-3-METHYL-2-METHYLSULFANYL-5,7-DIPHENYL-5,8-DIHYDROPYRIDO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID EScIdKx0XrF
InChI InChI=1S/C22H18N4OS/c1-26-21(27)18-17(14-9-5-3-6-10-14)16(13-23)19(15-11-7-4-8-12-15)24-20(18)25-22(26)28-2/h3-12,17,24H,1-2H3
InChIKey IVLDQFMGEZQKHD-UHFFFAOYSA-N
Mol Weight 386.47 g/mol
Molecular Formula C22H18N4OS
Exact Mass 386.120132 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IUFDaGOtCyO
Name 6-CYANO-3-METHYL-2-METHYLSULFANYL-5,7-DIPHENYL-5,8-DIHYDROPYRIDO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
Compound Number 5S
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H18N4OS
InChI InChI=1S/C22H18N4OS/c1-26-21(27)18-17(14-9-5-3-6-10-14)16(13-23)19(15-11-7-4-8-12-15)24-20(18)25-22(26)28-2/h3-12,17,24H,1-2H3
InChIKey IVLDQFMGEZQKHD-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 386.471 g/mol
Sample ID 67244
Solvent DMSO-D6