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

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-[4-(2-methoxyethylamino)quinazolin-2-yl]sulfanyl-ethanone Openeye Name: 1-(3,4-dihydroxyphenyl)-2-[4-(2-methoxyethylamino)quinazolin-2-yl]sulfanyl-ethanone CAS Name: 1-(3,4-dihydroxyphenyl)-2-[[4-(2-methoxyethylamino)-2-quinazolinyl]thio]ethanone IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-[4-(2-methoxyethylamino)quinazolin-2-yl]sulfanylethanone Traditional Name: 1-(3,4-dihydroxyphenyl)-2-[[4-(2-methoxyethylamino)quinazolin-2-yl]thio]ethanone Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC(=NC2=CC=CC=C21)SCC(=O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

COCCNC1=NC(=NC2=CC=CC=C21)SCC(=O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C19H19N3O4S/c1-26-9-8-20-18-13-4-2-3-5-14(13)21-19(22-18)27-11-17(25)12-6-7-15(23)16(24)10-12/h2-7,10,23-24H,8-9,11H2,1H3,(H,20,21,22)