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

Systemtic Name: 1-[4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Openeye Name: 1-[4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]hexan-1-one CAS Name: 1-[4-[2-(4-chlorophenyl)-5,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-[2-(4-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperazin-1-yl]hexan-1-one Traditional Name: 1-[4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazino]hexan-1-one Formula: C22H29ClN4O MolecularWeight: 400.94486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2C)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2C)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H29ClN4O/c1-4-5-6-7-20(28)26-12-14-27(15-13-26)22-16(2)17(3)24-21(25-22)18-8-10-19(23)11-9-18/h8-11H,4-7,12-15H2,1-3H3