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

Systemtic Name: 1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Openeye Name: 1-[4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]piperazin-1-yl]hexan-1-one CAS Name: 1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Traditional Name: 1-[4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]piperazino]hexan-1-one Formula: C25H36N4O MolecularWeight: 408.57954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4O/c1-5-7-8-9-24(30)28-14-16-29(17-15-28)25-22(23(6-2)26-20(4)27-25)18-21-12-10-19(3)11-13-21/h10-13H,5-9,14-18H2,1-4H3