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

Systemtic Name: 1-[4-[5-ethyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Openeye Name: 1-[4-[5-ethyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]hexan-1-one CAS Name: 1-[4-[5-ethyl-6-methyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-[5-ethyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Traditional Name: 1-[4-[5-ethyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]hexan-1-one Formula: C24H34N4O MolecularWeight: 394.55296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N4O/c1-5-7-8-12-22(29)27-13-15-28(16-14-27)24-21(6-2)19(4)25-23(26-24)20-11-9-10-18(3)17-20/h9-11,17H,5-8,12-16H2,1-4H3