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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N4O/c1-5-6-7-11-23(29)27-12-14-28(15-13-27)24-22(19(3)25-20(4)26-24)17-21-10-8-9-18(2)16-21/h8-10,16H,5-7,11-15,17H2,1-4H3