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3-[4'-(Methoxycarbonyl)-3'-hydroxyphenyl]-2-[(2"-hydroxycarbonyl)ethylthiomethyl]-4(3H)-quinazolin-4-one
SpectraBase Compound ID AppXv9vMAz
InChI InChI=1S/C20H18N2O6S/c1-28-20(27)14-7-6-12(10-16(14)23)22-17(11-29-9-8-18(24)25)21-15-5-3-2-4-13(15)19(22)26/h2-7,10,23H,8-9,11H2,1H3,(H,24,25)
InChIKey BXTZJNUTWRUSLC-UHFFFAOYSA-N
Mol Weight 414.43 g/mol
Molecular Formula C20H18N2O6S
Exact Mass 414.088557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G0cTNzzc86h
Name 3-[4'-(Methoxycarbonyl)-3'-hydroxyphenyl]-2-[(2"-hydroxycarbonyl)ethylthiomethyl]-4(3H)-quinazolin-4-one
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Formula C20H18N2O6S
InChI InChI=1S/C20H18N2O6S/c1-28-20(27)14-7-6-12(10-16(14)23)22-17(11-29-9-8-18(24)25)21-15-5-3-2-4-13(15)19(22)26/h2-7,10,23H,8-9,11H2,1H3,(H,24,25)
InChIKey BXTZJNUTWRUSLC-UHFFFAOYSA-N
Molecular Weight 414.432 g/mol
SMILES OC(CCSCC1=Nc2c(C(N1c1cc(c(cc1)C(=O)OC)O)=O)cccc2)=O
SPLASH splash10-0bvi-0069000000-aaf584f6c9574769abf1
Source of Spectrum G-58-1967-0
Wiley ID 748617