N-(6-azanylhexyl)-2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(6-azanylhexyl)-2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(6-aminohexyl)-2-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(6-aminohexyl)-2-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(6-aminohexyl)-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(6-aminohexyl)-2-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C22H25FN4O2S MolecularWeight: 428.522903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NCCCCCCN)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NCCCCCCN)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN4O2S/c23-16-9-11-17(12-10-16)27-21(29)18-7-3-4-8-19(18)26-22(27)30-15-20(28)25-14-6-2-1-5-13-24/h3-4,7-12H,1-2,5-6,13-15,24H2,(H,25,28)