1-[4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-3,5,5-trimethyl-hexan-1-one

Systemtic Name: 1-[4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-3,5,5-trimethyl-hexan-1-one Openeye Name: 1-[4-[5,6-dimethyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]-3,5,5-trimethyl-hexan-1-one CAS Name: 1-[4-[5,6-dimethyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-3,5,5-trimethyl-1-hexanone IUPAC Name: 1-[4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-3,5,5-trimethylhexan-1-one Traditional Name: 1-[4-[5,6-dimethyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]-3,5,5-trimethyl-hexan-1-one Formula: C26H38N4O MolecularWeight: 422.60612

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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)CC(C)(C)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H38N4O/c1-18-9-8-10-22(15-18)24-27-21(4)20(3)25(28-24)30-13-11-29(12-14-30)23(31)16-19(2)17-26(5,6)7/h8-10,15,19H,11-14,16-17H2,1-7H3