[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone

Systemtic Name: [4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone Openeye Name: [4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazin-1-yl]-(p-tolyl)methanone CAS Name: [4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-(4-methylphenyl)methanone IUPAC Name: [4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(4-methylphenyl)methanone Traditional Name: [4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazino]-(p-tolyl)methanone Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C

InChI

InChI=1S/C25H28N4O/c1-18-9-11-22(12-10-18)25(30)29-15-13-28(14-16-29)24-23(19(2)26-20(3)27-24)17-21-7-5-4-6-8-21/h4-12H,13-17H2,1-3H3