3-methyl-1-[4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-[6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[6-methyl-2-(4-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 3-methyl-1-[4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-[6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazino]butan-1-one Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CC(=N2)N3CCN(CC3)C(=O)CC(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CC(=N2)N3CCN(CC3)C(=O)CC(C)C)C

InChI

InChI=1S/C21H28N4O/c1-15(2)13-20(26)25-11-9-24(10-12-25)19-14-17(4)22-21(23-19)18-7-5-16(3)6-8-18/h5-8,14-15H,9-13H2,1-4H3