5-[7-methoxy-2-[[4-(phenylsulfonyl)phenyl]amino]quinazolin-6-yl]furan-2-carbaldehyde

Systemtic Name: 5-[7-methoxy-2-[[4-(phenylsulfonyl)phenyl]amino]quinazolin-6-yl]furan-2-carbaldehyde Openeye Name: 5-[2-[4-(benzenesulfonyl)anilino]-7-methoxy-quinazolin-6-yl]furan-2-carbaldehyde CAS Name: 5-[2-[4-(benzenesulfonyl)anilino]-7-methoxy-6-quinazolinyl]-2-furancarboxaldehyde IUPAC Name: 5-[2-[4-(benzenesulfonyl)anilino]-7-methoxyquinazolin-6-yl]furan-2-carbaldehyde Traditional Name: 5-[2-(4-besylanilino)-7-methoxy-quinazolin-6-yl]furfural Formula: C26H19N3O5S MolecularWeight: 485.51116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=NC(=NC2=C1)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4)C5=CC=C(O5)C=O

Isomeric SMILES

COC1=C(C=C2C=NC(=NC2=C1)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4)C5=CC=C(O5)C=O

InChI

InChI=1S/C26H19N3O5S/c1-33-25-14-23-17(13-22(25)24-12-9-19(16-30)34-24)15-27-26(29-23)28-18-7-10-21(11-8-18)35(31,32)20-5-3-2-4-6-20/h2-16H,1H3,(H,27,28,29)