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

Systemtic Name: 1-[4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[4-[5,6-dimethyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]-2-ethyl-hexan-1-one CAS Name: 1-[4-[5,6-dimethyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-2-ethyl-1-hexanone IUPAC Name: 1-[4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-ethylhexan-1-one Traditional Name: 1-[4-[5,6-dimethyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]-2-ethyl-hexan-1-one Formula: C25H36N4O MolecularWeight: 408.57954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCN(CC1)C2=NC(=NC(=C2C)C)C3=CC(=CC=C3)C

Isomeric SMILES

CCCCC(CC)C(=O)N1CCN(CC1)C2=NC(=NC(=C2C)C)C3=CC(=CC=C3)C

InChI

InChI=1S/C25H36N4O/c1-6-8-11-21(7-2)25(30)29-15-13-28(14-16-29)24-19(4)20(5)26-23(27-24)22-12-9-10-18(3)17-22/h9-10,12,17,21H,6-8,11,13-16H2,1-5H3