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

Systemtic Name: N-(6-azanylhexyl)-2-[3-(2-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(6-aminohexyl)-2-[3-(2-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(6-aminohexyl)-2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(6-aminohexyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(6-aminohexyl)-2-[[3-(2-fluorophenyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C23H27FN4O2S MolecularWeight: 442.549483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCCCCN)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3F

Isomeric SMILES

CC(C(=O)NCCCCCCN)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3F

InChI

InChI=1S/C23H27FN4O2S/c1-16(21(29)26-15-9-3-2-8-14-25)31-23-27-19-12-6-4-10-17(19)22(30)28(23)20-13-7-5-11-18(20)24/h4-7,10-13,16H,2-3,8-9,14-15,25H2,1H3,(H,26,29)