2-chloranyl-1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 2-chloranyl-1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one Openeye Name: 2-chloro-1-[4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one CAS Name: 2-chloro-1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-chloro-1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one Traditional Name: 2-chloro-1-[4-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]piperazino]propan-1-one Formula: C21H27ClN4O MolecularWeight: 386.91828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCN(CC3)C(=O)C(C)Cl)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCN(CC3)C(=O)C(C)Cl)C)C

InChI

InChI=1S/C21H27ClN4O/c1-14-5-7-18(8-6-14)13-19-16(3)23-17(4)24-20(19)25-9-11-26(12-10-25)21(27)15(2)22/h5-8,15H,9-13H2,1-4H3