N-(4-ethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanamide

Systemtic Name: N-(4-ethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanamide Openeye Name: N-(4-ethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetamide CAS Name: N-(4-ethylphenyl)-2-[2-[(4-fluorophenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetamide IUPAC Name: N-(4-ethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetamide Traditional Name: N-(4-ethylphenyl)-2-[2-[(4-fluorobenzyl)thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]acetamide Formula: C22H22FN3O2S MolecularWeight: 411.492383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)F)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H22FN3O2S/c1-3-15-6-10-18(11-7-15)25-20(27)12-19-14(2)24-22(26-21(19)28)29-13-16-4-8-17(23)9-5-16/h4-11H,3,12-13H2,1-2H3,(H,25,27)(H,24,26,28)