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

Systemtic Name: 6-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[2-(4-ethoxyanilino)-2-oxo-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-(4-ethoxyanilino)-2-oxoethyl]-2-[(2-fluorophenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-(4-ethoxyanilino)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 2-[(2-fluorobenzyl)thio]-6-[2-keto-2-(p-phenetidino)ethyl]pyrimidin-4-olate Formula: C21H19FN3O3S- MolecularWeight: 412.457263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3F)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3F)[O-]

InChI

InChI=1S/C21H20FN3O3S/c1-2-28-17-9-7-15(8-10-17)23-19(26)11-16-12-20(27)25-21(24-16)29-13-14-5-3-4-6-18(14)22/h3-10,12H,2,11,13H2,1H3,(H,23,26)(H,24,25,27)/p-1