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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O/c1-4-5-20(27)25-10-12-26(13-11-25)21-19(15(2)23-16(3)24-21)14-17-6-8-18(22)9-7-17/h6-9H,4-5,10-14H2,1-3H3