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

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-[4-(butylamino)quinazolin-2-yl]sulfanyl-ethanone Openeye Name: 2-[4-(butylamino)quinazolin-2-yl]sulfanyl-1-(3,4-dihydroxyphenyl)ethanone CAS Name: 2-[[4-(butylamino)-2-quinazolinyl]thio]-1-(3,4-dihydroxyphenyl)ethanone IUPAC Name: 2-[4-(butylamino)quinazolin-2-yl]sulfanyl-1-(3,4-dihydroxyphenyl)ethanone Traditional Name: 2-[[4-(butylamino)quinazolin-2-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=CC=CC=C21)SCC(=O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

CCCCNC1=NC(=NC2=CC=CC=C21)SCC(=O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C20H21N3O3S/c1-2-3-10-21-19-14-6-4-5-7-15(14)22-20(23-19)27-12-18(26)13-8-9-16(24)17(25)11-13/h4-9,11,24-25H,2-3,10,12H2,1H3,(H,21,22,23)