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

Systemtic Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]-N-(4-dimethylaminophenyl)ethanamide Openeye Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-(4-dimethylaminophenyl)acetamide CAS Name: 2-[2-[(3-chlorophenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-(4-dimethylaminophenyl)acetamide IUPAC Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-(4-dimethylaminophenyl)acetamide Traditional Name: 2-[2-[(3-chlorobenzyl)thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-(4-dimethylaminophenyl)acetamide Formula: C22H23ClN4O2S MolecularWeight: 442.96162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Cl)CC(=O)NC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Cl)CC(=O)NC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H23ClN4O2S/c1-14-19(12-20(28)25-17-7-9-18(10-8-17)27(2)3)21(29)26-22(24-14)30-13-15-5-4-6-16(23)11-15/h4-11H,12-13H2,1-3H3,(H,25,28)(H,24,26,29)