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

Systemtic Name: N-(6-azanylhexyl)-4-[3-(3-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-butanamide Openeye Name: N-(6-aminohexyl)-4-[3-(3-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-butanamide CAS Name: N-(6-aminohexyl)-4-[[3-(3-fluorophenyl)-4-oxo-2-quinazolinyl]thio]butanamide IUPAC Name: N-(6-aminohexyl)-4-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylbutanamide Traditional Name: N-(6-aminohexyl)-4-[[3-(3-fluorophenyl)-4-keto-quinazolin-2-yl]thio]butyramide Formula: C24H29FN4O2S MolecularWeight: 456.576063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29FN4O2S/c25-18-9-7-10-19(17-18)29-23(31)20-11-3-4-12-21(20)28-24(29)32-16-8-13-22(30)27-15-6-2-1-5-14-26/h3-4,7,9-12,17H,1-2,5-6,8,13-16,26H2,(H,27,30)