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5-[5-(6-HYDROXY-2-OXO-2H-CHROMEN-4-YL)-THIAZOLO-[5,4-D]-ISOXAZOL-6(5H)-YL]-2-METHYLTHIENO-[3,4-D]-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID CEYTsVnE7rl
InChI InChI=1S/C20H12N4O5S2/c1-8-22-12-7-30-20(16(12)17(27)23-8)24-18-14(6-21-29-18)31-19(24)11-5-15(26)28-13-3-2-9(25)4-10(11)13/h2-7,19,25H,1H3,(H,22,23,27)
InChIKey NREJDIIZXRGNEH-UHFFFAOYSA-N
Mol Weight 452.46 g/mol
Molecular Formula C20H12N4O5S2
Exact Mass 452.024912 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Er2fcCH48Wd
Name 5-[5-(6-HYDROXY-2-OXO-2H-CHROMEN-4-YL)-THIAZOLO-[5,4-D]-ISOXAZOL-6(5H)-YL]-2-METHYLTHIENO-[3,4-D]-PYRIMIDIN-4(3H)-ONE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H12N4O5S2
InChI InChI=1S/C20H12N4O5S2/c1-8-22-12-7-30-20(16(12)17(27)23-8)24-18-14(6-21-29-18)31-19(24)11-5-15(26)28-13-3-2-9(25)4-10(11)13/h2-7,19,25H,1H3,(H,22,23,27)
InChIKey NREJDIIZXRGNEH-UHFFFAOYSA-N
Literature Reference Author I.H.E.AZAB,M.M.YOUSSEF,M.A.AMIN
Literature Reference Citation MOLECULES,19,19648(2014)
Literature Reference DOI 10.3390/molecules191219648
Molecular Weight 452.459 g/mol
Solvent DMSO-D6
Source File Reference UWLU81608