2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-5-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-5-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]pyrimidin-4-olate Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-5-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 2-[(2-fluorophenyl)methylthio]-6-methyl-5-[2-[2-(methylthio)anilino]-2-oxoethyl]-4-pyrimidinolate IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-5-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-[(2-fluorobenzyl)thio]-5-[2-keto-2-[2-(methylthio)anilino]ethyl]-6-methyl-pyrimidin-4-olate Formula: C21H19FN3O2S2- MolecularWeight: 428.522863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2F)[O-])CC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2F)[O-])CC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C21H20FN3O2S2/c1-13-15(11-19(26)24-17-9-5-6-10-18(17)28-2)20(27)25-21(23-13)29-12-14-7-3-4-8-16(14)22/h3-10H,11-12H2,1-2H3,(H,24,26)(H,23,25,27)/p-1