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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=CC(=O)N=C2SCC(=O)NC3=CC=C(C=C3)F)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=CC(=O)N=C2SCC(=O)NC3=CC=C(C=C3)F)O

InChI

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