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

Systemtic Name: N-(3-ethanoylphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanamide Openeye Name: N-(3-acetylphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide CAS Name: N-(3-acetylphenyl)-2-[2-[(2-fluorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[2-[(2-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=CC=C3F

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3F

InChI

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