2-[(4-fluorophenyl)methylsulfanyl]-6-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]pyrimidin-4-olate Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-[2-(2-isopropylanilino)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 2-[(4-fluorophenyl)methylthio]-6-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-4-pyrimidinolate IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-[2-oxo-2-(2-propan-2-ylanilino)ethyl]pyrimidin-4-olate Traditional Name: 2-[(4-fluorobenzyl)thio]-6-[2-(2-isopropylanilino)-2-keto-ethyl]pyrimidin-4-olate Formula: C22H21FN3O2S- MolecularWeight: 410.484443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)CC2=CC(=NC(=N2)SCC3=CC=C(C=C3)F)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)CC2=CC(=NC(=N2)SCC3=CC=C(C=C3)F)[O-]

InChI

InChI=1S/C22H22FN3O2S/c1-14(2)18-5-3-4-6-19(18)25-20(27)11-17-12-21(28)26-22(24-17)29-13-15-7-9-16(23)10-8-15/h3-10,12,14H,11,13H2,1-2H3,(H,25,27)(H,24,26,28)/p-1