N-(6,7-dimethoxy-4-oxidanylidene-2-thiophen-2-yl-quinazolin-3-yl)-3,4-bis(fluoranyl)benzamide

Systemtic Name: N-(6,7-dimethoxy-4-oxidanylidene-2-thiophen-2-yl-quinazolin-3-yl)-3,4-bis(fluoranyl)benzamide Openeye Name: N-[6,7-dimethoxy-4-oxo-2-(2-thienyl)quinazolin-3-yl]-3,4-difluoro-benzamide CAS Name: N-(6,7-dimethoxy-4-oxo-2-thiophen-2-yl-3-quinazolinyl)-3,4-difluorobenzamide IUPAC Name: N-(6,7-dimethoxy-4-oxo-2-thiophen-2-ylquinazolin-3-yl)-3,4-difluorobenzamide Traditional Name: 3,4-difluoro-N-[4-keto-6,7-dimethoxy-2-(2-thienyl)quinazolin-3-yl]benzamide Formula: C21H15F2N3O4S MolecularWeight: 443.423306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)C3=CC=CS3)NC(=O)C4=CC(=C(C=C4)F)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)C3=CC=CS3)NC(=O)C4=CC(=C(C=C4)F)F)OC

InChI

InChI=1S/C21H15F2N3O4S/c1-29-16-9-12-15(10-17(16)30-2)24-19(18-4-3-7-31-18)26(21(12)28)25-20(27)11-5-6-13(22)14(23)8-11/h3-10H,1-2H3,(H,25,27)