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

Systemtic Name: 2-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-3-(4-fluorophenyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-(2,6-dimethylanilino)-2-oxo-ethyl]sulfanyl-5-ethyl-3-(4-fluorophenyl)-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]thio]-5-ethyl-3-(4-fluorophenyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-5-ethyl-3-(4-fluorophenyl)-6-oxopyrimidin-4-olate Traditional Name: 2-[[2-(2,6-dimethylanilino)-2-keto-ethyl]thio]-5-ethyl-3-(4-fluorophenyl)-6-keto-pyrimidin-4-olate Formula: C22H21FN3O3S- MolecularWeight: 426.483843

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=C(C=CC=C2C)C)C3=CC=C(C=C3)F)[O-]

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=C(C=CC=C2C)C)C3=CC=C(C=C3)F)[O-]

InChI

InChI=1S/C22H22FN3O3S/c1-4-17-20(28)25-22(26(21(17)29)16-10-8-15(23)9-11-16)30-12-18(27)24-19-13(2)6-5-7-14(19)3/h5-11,29H,4,12H2,1-3H3,(H,24,27)/p-1