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

Systemtic Name: 1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]piperazin-1-yl]-2-ethyl-hexan-1-one CAS Name: 1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]-2-ethyl-1-hexanone IUPAC Name: 1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-ethylhexan-1-one Traditional Name: 1-[4-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]piperazino]-2-ethyl-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(=C2CC3=CC=C(C=C3)C)C)C

Isomeric SMILES

CCCCC(CC)C(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)C)C)C

InChI

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