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

Systemtic Name: 3-methyl-1-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[6-methyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 3-methyl-1-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-[6-methyl-2-(m-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=CC(=C1)C2=NC(=CC(=N2)N3CCN(CC3)C(=O)CC(C)C)C

Isomeric SMILES

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

InChI

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