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

Systemtic Name: N-[6,7-dimethoxy-4-oxidanylidene-2-(thiophen-2-ylmethyl)quinazolin-3-yl]-2-fluoranyl-benzamide Openeye Name: N-[6,7-dimethoxy-4-oxo-2-(2-thienylmethyl)quinazolin-3-yl]-2-fluoro-benzamide CAS Name: N-[6,7-dimethoxy-4-oxo-2-(thiophen-2-ylmethyl)-3-quinazolinyl]-2-fluorobenzamide IUPAC Name: N-[6,7-dimethoxy-4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]-2-fluorobenzamide Traditional Name: 2-fluoro-N-[4-keto-6,7-dimethoxy-2-(2-thenyl)quinazolin-3-yl]benzamide Formula: C22H18FN3O4S MolecularWeight: 439.459423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)CC3=CC=CS3)NC(=O)C4=CC=CC=C4F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)CC3=CC=CS3)NC(=O)C4=CC=CC=C4F)OC

InChI

InChI=1S/C22H18FN3O4S/c1-29-18-11-15-17(12-19(18)30-2)24-20(10-13-6-5-9-31-13)26(22(15)28)25-21(27)14-7-3-4-8-16(14)23/h3-9,11-12H,10H2,1-2H3,(H,25,27)