2-[(2-fluorophenyl)methylsulfanyl]-6-[2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]pyrimidin-4-olate Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 2-[(2-fluorophenyl)methylthio]-6-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-4-pyrimidinolate IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-[(2-fluorobenzyl)thio]-6-[2-keto-2-(o-anisylamino)ethyl]pyrimidin-4-olate Formula: C21H19FN3O3S- MolecularWeight: 412.457263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3F)[O-]

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3F)[O-]

InChI

InChI=1S/C21H20FN3O3S/c1-28-18-9-5-3-6-14(18)12-23-19(26)10-16-11-20(27)25-21(24-16)29-13-15-7-2-4-8-17(15)22/h2-9,11H,10,12-13H2,1H3,(H,23,26)(H,24,25,27)/p-1