1-[2-[(4-chlorophenyl)methylsulfanyl]-4-(4-dimethylaminophenyl)-6-methyl-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]-4-(4-dimethylaminophenyl)-6-methyl-pyrimidin-5-yl]ethanone Openeye Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]-4-(4-dimethylaminophenyl)-6-methyl-pyrimidin-5-yl]ethanone CAS Name: 1-[2-[(4-chlorophenyl)methylthio]-4-(4-dimethylaminophenyl)-6-methyl-5-pyrimidinyl]ethanone IUPAC Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]-4-(4-dimethylaminophenyl)-6-methylpyrimidin-5-yl]ethanone Traditional Name: 1-[2-[(4-chlorobenzyl)thio]-4-(4-dimethylaminophenyl)-6-methyl-pyrimidin-5-yl]ethanone Formula: C22H22ClN3OS MolecularWeight: 411.94758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)C)C2=CC=C(C=C2)N(C)C)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)C)C2=CC=C(C=C2)N(C)C)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H22ClN3OS/c1-14-20(15(2)27)21(17-7-11-19(12-8-17)26(3)4)25-22(24-14)28-13-16-5-9-18(23)10-6-16/h5-12H,13H2,1-4H3