N-(6-azanylhexyl)-5-[3-(2-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-pentanamide

Systemtic Name: N-(6-azanylhexyl)-5-[3-(2-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-pentanamide Openeye Name: N-(6-aminohexyl)-5-[3-(2-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-pentanamide CAS Name: N-(6-aminohexyl)-5-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]pentanamide IUPAC Name: N-(6-aminohexyl)-5-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanamide Traditional Name: N-(6-aminohexyl)-5-[[3-(2-fluorophenyl)-4-keto-quinazolin-2-yl]thio]valeramide Formula: C25H31FN4O2S MolecularWeight: 470.602643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCCC(=O)NCCCCCCN)C3=CC=CC=C3F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCCC(=O)NCCCCCCN)C3=CC=CC=C3F

InChI

InChI=1S/C25H31FN4O2S/c26-20-12-4-6-14-22(20)30-24(32)19-11-3-5-13-21(19)29-25(30)33-18-10-7-15-23(31)28-17-9-2-1-8-16-27/h3-6,11-14H,1-2,7-10,15-18,27H2,(H,28,31)