2-[(2-fluorophenyl)methylsulfanyl]-6-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]pyrimidin-4-olate Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 2-[(2-fluorophenyl)methylthio]-6-[2-[3-(methylthio)anilino]-2-oxoethyl]-4-pyrimidinolate IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-(3-methylsulfanylanilino)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-[(2-fluorobenzyl)thio]-6-[2-keto-2-[3-(methylthio)anilino]ethyl]pyrimidin-4-olate Formula: C20H17FN3O2S2- MolecularWeight: 414.496283

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3F)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3F)[O-]

InChI

InChI=1S/C20H18FN3O2S2/c1-27-16-7-4-6-14(9-16)22-18(25)10-15-11-19(26)24-20(23-15)28-12-13-5-2-3-8-17(13)21/h2-9,11H,10,12H2,1H3,(H,22,25)(H,23,24,26)/p-1