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

Systemtic Name: 6-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-(2-indolin-1-yl-2-oxo-ethyl)pyrimidin-4-olate CAS Name: 6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(4-fluorophenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 2-[(4-fluorobenzyl)thio]-6-(2-indolin-1-yl-2-keto-ethyl)pyrimidin-4-olate Formula: C21H17FN3O2S- MolecularWeight: 394.441983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)CC3=CC(=NC(=N3)SCC4=CC=C(C=C4)F)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)CC3=CC(=NC(=N3)SCC4=CC=C(C=C4)F)[O-]

InChI

InChI=1S/C21H18FN3O2S/c22-16-7-5-14(6-8-16)13-28-21-23-17(11-19(26)24-21)12-20(27)25-10-9-15-3-1-2-4-18(15)25/h1-8,11H,9-10,12-13H2,(H,23,24,26)/p-1