3-methyl-1-[4-[6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-[6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[5-benzyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 3-methyl-1-[4-[6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[5-benzyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[5-benzyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]-3-methyl-butan-1-one Formula: C28H34N4O MolecularWeight: 442.59576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)CC(C)C)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)CC(C)C)CC4=CC=CC=C4)C

InChI

InChI=1S/C28H34N4O/c1-20(2)17-26(33)31-13-15-32(16-14-31)28-25(19-23-10-6-5-7-11-23)22(4)29-27(30-28)24-12-8-9-21(3)18-24/h5-12,18,20H,13-17,19H2,1-4H3