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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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