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5-(3,4-DIOXOMETHYLENPHENYL)-6-CYANO-7-METHYL-2-METHYLSULFANYL-5,8-DIHYDROPYRIDO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID 3JeSDP8RbeO
InChI InChI=1S/C17H14N4O3S/c1-8-10(6-18)13(9-3-4-11-12(5-9)24-7-23-11)14-15(19-8)20-17(25-2)21-16(14)22/h3-5,13H,7H2,1-2H3,(H2,19,20,21,22)
InChIKey ZJXSRRLBVLFKRU-UHFFFAOYSA-N
Mol Weight 354.38 g/mol
Molecular Formula C17H14N4O3S
Exact Mass 354.078661 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DzeZNz6eiT8
Name 5-(3,4-DIOXOMETHYLENPHENYL)-6-CYANO-7-METHYL-2-METHYLSULFANYL-5,8-DIHYDROPYRIDO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
Compound Number 5E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H14N4O3S
InChI InChI=1S/C17H14N4O3S/c1-8-10(6-18)13(9-3-4-11-12(5-9)24-7-23-11)14-15(19-8)20-17(25-2)21-16(14)22/h3-5,13H,7H2,1-2H3,(H2,19,20,21,22)
InChIKey ZJXSRRLBVLFKRU-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 354.383 g/mol
Sample ID 67230
Solvent DMSO-D6