1-[4-[2,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]butan-1-one

Systemtic Name: 1-[4-[2,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[2,6-dimethyl-5-(m-tolylmethyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one CAS Name: 1-[4-[2,6-dimethyl-5-[(3-methylphenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[2,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]butan-1-one Traditional Name: 1-[4-[2,6-dimethyl-5-(3-methylbenzyl)pyrimidin-4-yl]piperazino]butan-1-one Formula: C22H30N4O MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O/c1-5-7-21(27)25-10-12-26(13-11-25)22-20(17(3)23-18(4)24-22)15-19-9-6-8-16(2)14-19/h6,8-9,14H,5,7,10-13,15H2,1-4H3