2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-3-(4-methylpyridin-2-yl)quinazolin-4-one

Systemtic Name: 2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-3-(4-methylpyridin-2-yl)quinazolin-4-one Openeye Name: 2-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-3-(4-methyl-2-pyridyl)quinazolin-4-one CAS Name: 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-3-(4-methyl-2-pyridinyl)-4-quinazolinone IUPAC Name: 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-3-(4-methylpyridin-2-yl)quinazolin-4-one Traditional Name: 2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-3-(4-methyl-2-pyridyl)quinazolin-4-one Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC(=C(C=C4)O)O

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC(=C(C=C4)O)O

InChI

InChI=1S/C22H17N3O4S/c1-13-8-9-23-20(10-13)25-21(29)15-4-2-3-5-16(15)24-22(25)30-12-19(28)14-6-7-17(26)18(27)11-14/h2-11,26-27H,12H2,1H3