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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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