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

Systemtic Name: 1-[4-[5-[(2-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[4-[5-[(2-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]-2-ethyl-hexan-1-one CAS Name: 1-[4-[5-[(2-chlorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-2-ethyl-1-hexanone IUPAC Name: 1-[4-[5-[(2-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-2-ethylhexan-1-one Traditional Name: 1-[4-[5-(2-chlorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]piperazino]-2-ethyl-hexan-1-one Formula: C25H35ClN4O MolecularWeight: 443.0246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3Cl)C)C

Isomeric SMILES

CCCCC(CC)C(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3Cl)C)C

InChI

InChI=1S/C25H35ClN4O/c1-5-7-10-20(6-2)25(31)30-15-13-29(14-16-30)24-22(18(3)27-19(4)28-24)17-21-11-8-9-12-23(21)26/h8-9,11-12,20H,5-7,10,13-17H2,1-4H3