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

Systemtic Name: N-(6-azanylhexyl)-5-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-pentanamide Openeye Name: N-(6-aminohexyl)-5-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-pentanamide CAS Name: N-(6-aminohexyl)-5-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]pentanamide IUPAC Name: N-(6-aminohexyl)-5-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanamide Traditional Name: N-(6-aminohexyl)-5-[[3-(4-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=C(C=C3)F

Isomeric SMILES

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

InChI

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