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

Systemtic Name: 1-[4-(4-dimethylaminophenyl)-6-methyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(4-dimethylaminophenyl)-6-methyl-2-(p-tolylmethylsulfanyl)pyrimidin-5-yl]ethanone CAS Name: 1-[4-(4-dimethylaminophenyl)-6-methyl-2-[(4-methylphenyl)methylthio]-5-pyrimidinyl]ethanone IUPAC Name: 1-[4-(4-dimethylaminophenyl)-6-methyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidin-5-yl]ethanone Traditional Name: 1-[4-(4-dimethylaminophenyl)-6-methyl-2-[(4-methylbenzyl)thio]pyrimidin-5-yl]ethanone Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC(=C(C(=N2)C)C(=O)C)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC(=C(C(=N2)C)C(=O)C)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C23H25N3OS/c1-15-6-8-18(9-7-15)14-28-23-24-16(2)21(17(3)27)22(25-23)19-10-12-20(13-11-19)26(4)5/h6-13H,14H2,1-5H3