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

Systemtic Name: 1-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Openeye Name: 1-[4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]hexan-1-one CAS Name: 1-[4-[6-methyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Traditional Name: 1-[4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]hexan-1-one Formula: C22H30N4O MolecularWeight: 366.4998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O/c1-4-5-6-10-21(27)26-13-11-25(12-14-26)20-16-18(3)23-22(24-20)19-9-7-8-17(2)15-19/h7-9,15-16H,4-6,10-14H2,1-3H3