[4-(3-chlorophenyl)piperazin-1-yl]-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methanone

Systemtic Name: [4-(3-chlorophenyl)piperazin-1-yl]-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methanone Openeye Name: [4-(3-chlorophenyl)piperazin-1-yl]-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methanone CAS Name: [4-(3-chlorophenyl)-1-piperazinyl]-[4-methyl-2-(4-methyl-1-piperazinyl)-5-pyrimidinyl]methanone IUPAC Name: [4-(3-chlorophenyl)piperazin-1-yl]-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methanone Traditional Name: [4-(3-chlorophenyl)piperazino]-[4-methyl-2-(4-methylpiperazino)pyrimidin-5-yl]methanone Formula: C21H27ClN6O MolecularWeight: 414.93168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)N4CCN(CC4)C

Isomeric SMILES

CC1=NC(=NC=C1C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)N4CCN(CC4)C

InChI

InChI=1S/C21H27ClN6O/c1-16-19(15-23-21(24-16)28-8-6-25(2)7-9-28)20(29)27-12-10-26(11-13-27)18-5-3-4-17(22)14-18/h3-5,14-15H,6-13H2,1-2H3