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

Systemtic Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Openeye Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]hexan-1-one CAS Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]hexan-1-one Traditional Name: 1-[4-[5-(2,5-dimethylbenzyl)-2,6-dimethyl-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=C(C=CC(=C3)C)C)C)C

Isomeric SMILES

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

InChI

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