N-(2,6-dimethylphenyl)-2-[5-ethyl-1-(4-fluorophenyl)-6-oxidanyl-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[5-ethyl-1-(4-fluorophenyl)-6-oxidanyl-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[5-ethyl-1-(4-fluorophenyl)-6-hydroxy-4-oxo-pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[[5-ethyl-1-(4-fluorophenyl)-6-hydroxy-4-oxo-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[5-ethyl-1-(4-fluorophenyl)-6-hydroxy-4-oxopyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[5-ethyl-1-(4-fluorophenyl)-6-hydroxy-4-keto-pyrimidin-2-yl]thio]acetamide Formula: C22H22FN3O3S MolecularWeight: 427.491783

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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)