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

Systemtic Name: 2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C3=CC(=C(C=C3)O)O)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C3=CC(=C(C=C3)O)O)CCCO

InChI

InChI=1S/C19H18N2O5S/c22-9-3-8-21-18(26)13-4-1-2-5-14(13)20-19(21)27-11-17(25)12-6-7-15(23)16(24)10-12/h1-2,4-7,10,22-24H,3,8-9,11H2