2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-3-(4-fluorophenyl)-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-3-(4-fluorophenyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanyl-5-ethyl-3-(4-fluorophenyl)-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]-5-ethyl-3-(4-fluorophenyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-5-ethyl-3-(4-fluorophenyl)-6-oxopyrimidin-4-olate Traditional Name: 5-ethyl-3-(4-fluorophenyl)-6-keto-2-[[2-keto-2-(p-phenetidino)ethyl]thio]pyrimidin-4-olate Formula: C22H21FN3O4S- MolecularWeight: 442.483243

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=C(C=C2)OCC)C3=CC=C(C=C3)F)[O-]

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=C(C=C2)OCC)C3=CC=C(C=C3)F)[O-]

InChI

InChI=1S/C22H22FN3O4S/c1-3-18-20(28)25-22(26(21(18)29)16-9-5-14(23)6-10-16)31-13-19(27)24-15-7-11-17(12-8-15)30-4-2/h5-12,29H,3-4,13H2,1-2H3,(H,24,27)/p-1