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

Systemtic Name: N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanamide Openeye Name: N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide Traditional Name: N-(3,4-dimethylphenyl)-2-[2-[(4-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=C(C=C(C=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)F)C

InChI

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