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2-[5-CYANO-6-(3,4,5-TRIMETHOXYPHENYL)-2-THIOXO-1,2-DIHYDROPYRIMIDINE-4-YL-AMINO]-BENZOIC-ACID
SpectraBase Compound ID hwZrkOQz60
InChI InChI=1S/C21H18N4O5S/c1-28-15-8-11(9-16(29-2)18(15)30-3)17-13(10-22)19(25-21(31)24-17)23-14-7-5-4-6-12(14)20(26)27/h4-9H,1-3H3,(H,26,27)(H2,23,24,25,31)
InChIKey YZJNMRIUARUOKT-UHFFFAOYSA-N
Mol Weight 438.46 g/mol
Molecular Formula C21H18N4O5S
Exact Mass 438.099791 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G5yqektq26c
Name 2-[5-CYANO-6-(3,4,5-TRIMETHOXYPHENYL)-2-THIOXO-1,2-DIHYDROPYRIMIDINE-4-YL-AMINO]-BENZOIC-ACID
Compound Number 10 D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18N4O5S
InChI InChI=1S/C21H18N4O5S/c1-28-15-8-11(9-16(29-2)18(15)30-3)17-13(10-22)19(25-21(31)24-17)23-14-7-5-4-6-12(14)20(26)27/h4-9H,1-3H3,(H,26,27)(H2,23,24,25,31)
InChIKey YZJNMRIUARUOKT-UHFFFAOYSA-N
Literature Reference Author M.S.MOHAMED,A.M.AWAD,N.M.AHMED
Literature Reference Citation ACTA.PHARM.,61,171(2011)
Molecular Weight 438.458 g/mol
Solvent Unknown
Source File Reference UWLU78982