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

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-5-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-5-[2-(4-methoxycarbonylanilino)-2-oxo-ethyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[(2-fluorophenyl)methylthio]-5-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-5-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-6-methylpyrimidin-4-olate Traditional Name: 5-[2-(4-carbomethoxyanilino)-2-keto-ethyl]-2-[(2-fluorobenzyl)thio]-6-methyl-pyrimidin-4-olate Formula: C22H19FN3O4S- MolecularWeight: 440.467363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2F)[O-])CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2F)[O-])CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H20FN3O4S/c1-13-17(11-19(27)25-16-9-7-14(8-10-16)21(29)30-2)20(28)26-22(24-13)31-12-15-5-3-4-6-18(15)23/h3-10H,11-12H2,1-2H3,(H,25,27)(H,24,26,28)/p-1