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

Systemtic Name: 5-[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 5-[2-(4-carbamoylanilino)-2-oxo-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 5-[2-(4-carbamoylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 5-[2-(4-carbamoylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 5-[2-(4-carbamoylanilino)-2-keto-ethyl]-2-[(4-fluorobenzyl)thio]-6-methyl-pyrimidin-4-olate Formula: C21H18FN4O3S- MolecularWeight: 425.456023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=C(C=C2)F)[O-])CC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=C(C=C2)F)[O-])CC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H19FN4O3S/c1-12-17(10-18(27)25-16-8-4-14(5-9-16)19(23)28)20(29)26-21(24-12)30-11-13-2-6-15(22)7-3-13/h2-9H,10-11H2,1H3,(H2,23,28)(H,25,27)(H,24,26,29)/p-1