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3-(3,4,5-TRIMETHOXYPHENYL)-10-OXO-1-THIOXO-2,10-DIHYDRO-1H-PYRIMIDO-[6,1-B]-QUINAZOLINE-4-CARBONITRILE
SpectraBase Compound ID 9gGEgTmBCqO
InChI InChI=1S/C21H16N4O4S/c1-27-15-8-11(9-16(28-2)18(15)29-3)17-13(10-22)19-23-14-7-5-4-6-12(14)20(26)25(19)21(30)24-17/h4-9H,1-3H3,(H,24,30)
InChIKey ISTVMEXDAXKQFW-UHFFFAOYSA-N
Mol Weight 420.44 g/mol
Molecular Formula C21H16N4O4S
Exact Mass 420.089226 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8VefKgrMSTe
Name 3-(3,4,5-TRIMETHOXYPHENYL)-10-OXO-1-THIOXO-2,10-DIHYDRO-1H-PYRIMIDO-[6,1-B]-QUINAZOLINE-4-CARBONITRILE
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H16N4O4S
InChI InChI=1S/C21H16N4O4S/c1-27-15-8-11(9-16(28-2)18(15)29-3)17-13(10-22)19-23-14-7-5-4-6-12(14)20(26)25(19)21(30)24-17/h4-9H,1-3H3,(H,24,30)
InChIKey ISTVMEXDAXKQFW-UHFFFAOYSA-N
Literature Reference Author M.S.MOHAMED,A.M.AWAD,N.M.AHMED
Literature Reference Citation ACTA.PHARM.,61,171(2011)
Molecular Weight 420.442 g/mol
Solvent Unknown
Source File Reference UWLU78962