N-(2,3-dimethylphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[2-[(2-fluorophenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[2-[(2-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:

CC1=C(C(=CC=C1)NC(=O)CC2=C(NC(=NC2=O)SCC3=CC=CC=C3F)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CC2=C(NC(=NC2=O)SCC3=CC=CC=C3F)C)C

InChI

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