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

Systemtic Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[2-[(3-chlorophenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[2-[(3-chlorobenzyl)thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CC2=C(NC(=NC2=O)SCC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CC2=C(NC(=NC2=O)SCC3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C22H22ClN3O2S/c1-13-6-4-7-14(2)20(13)25-19(27)11-18-15(3)24-22(26-21(18)28)29-12-16-8-5-9-17(23)10-16/h4-10H,11-12H2,1-3H3,(H,25,27)(H,24,26,28)