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

Systemtic Name: 1-[4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]pentan-1-one Openeye Name: 1-[4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]pentan-1-one CAS Name: 1-[4-[2-(4-chlorophenyl)-5,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-1-pentanone IUPAC Name: 1-[4-[2-(4-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperazin-1-yl]pentan-1-one Traditional Name: 1-[4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazino]pentan-1-one Formula: C21H27ClN4O MolecularWeight: 386.91828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O/c1-4-5-6-19(27)25-11-13-26(14-12-25)21-15(2)16(3)23-20(24-21)17-7-9-18(22)10-8-17/h7-10H,4-6,11-14H2,1-3H3