5-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 5-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-5-(2-indolin-1-yl-2-oxo-ethyl)-6-methyl-pyrimidin-4-olate CAS Name: 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(2-fluorophenyl)methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[(2-fluorobenzyl)thio]-5-(2-indolin-1-yl-2-keto-ethyl)-6-methyl-pyrimidin-4-olate Formula: C22H19FN3O2S- MolecularWeight: 408.468563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2F)[O-])CC(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2F)[O-])CC(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C22H20FN3O2S/c1-14-17(12-20(27)26-11-10-15-6-3-5-9-19(15)26)21(28)25-22(24-14)29-13-16-7-2-4-8-18(16)23/h2-9H,10-13H2,1H3,(H,24,25,28)/p-1