5-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-6-methyl-2-(4-methylphenyl)-1H-pyrimidin-4-one

Systemtic Name: 5-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-6-methyl-2-(4-methylphenyl)-1H-pyrimidin-4-one Openeye Name: 5-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-6-methyl-2-(p-tolyl)-1H-pyrimidin-4-one CAS Name: 5-[2-[(2-chlorophenyl)methylthio]ethyl]-6-methyl-2-(4-methylphenyl)-1H-pyrimidin-4-one IUPAC Name: 5-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-6-methyl-2-(4-methylphenyl)-1H-pyrimidin-4-one Traditional Name: 5-[2-[(2-chlorobenzyl)thio]ethyl]-6-methyl-2-(p-tolyl)-1H-pyrimidin-4-one Formula: C21H21ClN2OS MolecularWeight: 384.92224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=O)C(=C(N2)C)CCSCC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=O)C(=C(N2)C)CCSCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H21ClN2OS/c1-14-7-9-16(10-8-14)20-23-15(2)18(21(25)24-20)11-12-26-13-17-5-3-4-6-19(17)22/h3-10H,11-13H2,1-2H3,(H,23,24,25)