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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCN(CC1)C2=NC(=NC(=C2CC)C)C3=CC(=CC=C3)C

Isomeric SMILES

CCCCC(CC)C(=O)N1CCN(CC1)C2=NC(=NC(=C2CC)C)C3=CC(=CC=C3)C

InChI

InChI=1S/C26H38N4O/c1-6-9-12-21(7-2)26(31)30-16-14-29(15-17-30)25-23(8-3)20(5)27-24(28-25)22-13-10-11-19(4)18-22/h10-11,13,18,21H,6-9,12,14-17H2,1-5H3