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

Systemtic Name: 2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-3-(3-ethoxypropyl)quinazolin-4-one Openeye Name: 2-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-3-(3-ethoxypropyl)quinazolin-4-one CAS Name: 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-3-(3-ethoxypropyl)-4-quinazolinone IUPAC Name: 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-3-(3-ethoxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-3-(3-ethoxypropyl)quinazolin-4-one Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C21H22N2O5S/c1-2-28-11-5-10-23-20(27)15-6-3-4-7-16(15)22-21(23)29-13-19(26)14-8-9-17(24)18(25)12-14/h3-4,6-9,12,24-25H,2,5,10-11,13H2,1H3