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

Systemtic Name: 2-methyl-1-[4-[6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[5-benzyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 2-methyl-1-[4-[6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[5-benzyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[5-benzyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]-2-methyl-propan-1-one Formula: C27H32N4O MolecularWeight: 428.56918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O/c1-19(2)27(32)31-15-13-30(14-16-31)26-24(18-22-10-6-5-7-11-22)21(4)28-25(29-26)23-12-8-9-20(3)17-23/h5-12,17,19H,13-16,18H2,1-4H3