2-[4-(4-chlorophenyl)piperazin-1-yl]-6-(2-methylphenyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(4-chlorophenyl)piperazin-1-yl]-6-(2-methylphenyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-(4-chlorophenyl)piperazin-1-yl]-6-(o-tolyl)-1H-pyrimidin-4-one CAS Name: 2-[4-(4-chlorophenyl)-1-piperazinyl]-6-(2-methylphenyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-(4-chlorophenyl)piperazin-1-yl]-6-(2-methylphenyl)-1H-pyrimidin-4-one Traditional Name: 2-[4-(4-chlorophenyl)piperazino]-6-(o-tolyl)-1H-pyrimidin-4-one Formula: C21H21ClN4O MolecularWeight: 380.87064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=O)N=C(N2)N3CCN(CC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=O)N=C(N2)N3CCN(CC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN4O/c1-15-4-2-3-5-18(15)19-14-20(27)24-21(23-19)26-12-10-25(11-13-26)17-8-6-16(22)7-9-17/h2-9,14H,10-13H2,1H3,(H,23,24,27)