6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-[(2-fluorophenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]-2-[(2-fluorobenzyl)thio]pyrimidin-4-olate Formula: C22H19FN3O2S- MolecularWeight: 408.468563

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)CC3=CC(=NC(=N3)SCC4=CC=CC=C4F)[O-]

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)CC3=CC(=NC(=N3)SCC4=CC=CC=C4F)[O-]

InChI

InChI=1S/C22H20FN3O2S/c23-18-9-3-1-7-16(18)14-29-22-24-17(12-20(27)25-22)13-21(28)26-11-5-8-15-6-2-4-10-19(15)26/h1-4,6-7,9-10,12H,5,8,11,13-14H2,(H,24,25,27)/p-1