1-[3,4-bis(oxidanyl)phenyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-ethanone Openeye Name: 1-(3,4-dihydroxyphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-ethanone CAS Name: 1-(3,4-dihydroxyphenyl)-2-[[4-(methylamino)-2-quinazolinyl]thio]ethanone IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylethanone Traditional Name: 1-(3,4-dihydroxyphenyl)-2-[[4-(methylamino)quinazolin-2-yl]thio]ethanone Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=CC=CC=C21)SCC(=O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

CNC1=NC(=NC2=CC=CC=C21)SCC(=O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C17H15N3O3S/c1-18-16-11-4-2-3-5-12(11)19-17(20-16)24-9-15(23)10-6-7-13(21)14(22)8-10/h2-8,21-22H,9H2,1H3,(H,18,19,20)