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

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

Isomeric SMILES

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

InChI

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