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7-AMINO-6-CYANO-5,8-DIHYDRO-2-METHYLTHIO-5-(4-NITROPHENYL)-PYRIDO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID BTApCFTkuap
InChI InChI=1S/C15H12N6O3S/c1-25-15-19-13-11(14(22)20-15)10(9(6-16)12(17)18-13)7-2-4-8(5-3-7)21(23)24/h2-5,10H,17H2,1H3,(H2,18,19,20,22)
InChIKey QQCFXFQGKIIVFB-UHFFFAOYSA-N
Mol Weight 356.36 g/mol
Molecular Formula C15H12N6O3S
Exact Mass 356.069159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JXsJZwEsbE3
Name 7-AMINO-6-CYANO-5,8-DIHYDRO-2-METHYLTHIO-5-(4-NITROPHENYL)-PYRIDO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H12N6O3S
InChI InChI=1S/C15H12N6O3S/c1-25-15-19-13-11(14(22)20-15)10(9(6-16)12(17)18-13)7-2-4-8(5-3-7)21(23)24/h2-5,10H,17H2,1H3,(H2,18,19,20,22)
InChIKey QQCFXFQGKIIVFB-UHFFFAOYSA-N
Literature Reference Author J.QUIROGA,M.ALVARADO,B.INSUASTY,M.NOGUERAS,A.SANCHEZ,J.COBO
Literature Reference Citation J.HETCYCL.CHEM.,35,1309(1998)
Literature Reference DOI 10.1002/jhet.5570350612
Molecular Weight 356.359 g/mol
Solvent DMSO-D6
Source File Reference UWCS25116