N-(3-ethanoylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanamide

Systemtic Name: N-(3-ethanoylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanamide Openeye Name: N-(3-acetylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide CAS Name: N-(3-acetylphenyl)-2-[2-[(4-fluorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[2-[(4-fluorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetamide Formula: C21H18FN3O3S MolecularWeight: 411.449323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H18FN3O3S/c1-13(26)15-3-2-4-17(9-15)23-19(27)10-18-11-20(28)25-21(24-18)29-12-14-5-7-16(22)8-6-14/h2-9,11H,10,12H2,1H3,(H,23,27)(H,24,25,28)