6-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylhexanoic acid

Systemtic Name: 6-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylhexanoic acid Openeye Name: 6-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanylhexanoic acid CAS Name: 6-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]hexanoic acid IUPAC Name: 6-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylhexanoic acid Traditional Name: 6-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]hexanoic acid Formula: C20H19FN2O3S MolecularWeight: 386.439863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN2O3S/c21-14-9-11-15(12-10-14)23-19(26)16-6-3-4-7-17(16)22-20(23)27-13-5-1-2-8-18(24)25/h3-4,6-7,9-12H,1-2,5,8,13H2,(H,24,25)