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

Systemtic Name: 5-[7-fluoranyl-4-[[2-(phenylsulfonyl)phenyl]amino]quinazolin-6-yl]furan-2-carbaldehyde Openeye Name: 5-[4-[2-(benzenesulfonyl)anilino]-7-fluoro-quinazolin-6-yl]furan-2-carbaldehyde CAS Name: 5-[4-[2-(benzenesulfonyl)anilino]-7-fluoro-6-quinazolinyl]-2-furancarboxaldehyde IUPAC Name: 5-[4-[2-(benzenesulfonyl)anilino]-7-fluoroquinazolin-6-yl]furan-2-carbaldehyde Traditional Name: 5-[4-(2-besylanilino)-7-fluoro-quinazolin-6-yl]furfural Formula: C25H16FN3O4S MolecularWeight: 473.475643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2NC3=NC=NC4=CC(=C(C=C43)C5=CC=C(O5)C=O)F

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2NC3=NC=NC4=CC(=C(C=C43)C5=CC=C(O5)C=O)F

InChI

InChI=1S/C25H16FN3O4S/c26-20-13-22-19(12-18(20)23-11-10-16(14-30)33-23)25(28-15-27-22)29-21-8-4-5-9-24(21)34(31,32)17-6-2-1-3-7-17/h1-15H,(H,27,28,29)