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

Systemtic Name: N-(2,5-dimethylphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[2-[(2-fluorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[2-[(2-fluorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetamide Formula: C21H20FN3O2S MolecularWeight: 397.465803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3F

InChI

InChI=1S/C21H20FN3O2S/c1-13-7-8-14(2)18(9-13)24-19(26)10-16-11-20(27)25-21(23-16)28-12-15-5-3-4-6-17(15)22/h3-9,11H,10,12H2,1-2H3,(H,24,26)(H,23,25,27)