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

Systemtic Name: 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]-4-(4-dimethylaminophenyl)-6-methyl-pyrimidin-5-yl]ethanone Openeye Name: 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]-4-(4-dimethylaminophenyl)-6-methyl-pyrimidin-5-yl]ethanone CAS Name: 1-[2-[(2,4-dichlorophenyl)methylthio]-4-(4-dimethylaminophenyl)-6-methyl-5-pyrimidinyl]ethanone IUPAC Name: 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]-4-(4-dimethylaminophenyl)-6-methylpyrimidin-5-yl]ethanone Traditional Name: 1-[2-[(2,4-dichlorobenzyl)thio]-4-(4-dimethylaminophenyl)-6-methyl-pyrimidin-5-yl]ethanone Formula: C22H21Cl2N3OS MolecularWeight: 446.39264

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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=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H21Cl2N3OS/c1-13-20(14(2)28)21(15-6-9-18(10-7-15)27(3)4)26-22(25-13)29-12-16-5-8-17(23)11-19(16)24/h5-11H,12H2,1-4H3