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

Systemtic Name: 1-[4-[5-ethyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[5-ethyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one CAS Name: 1-[4-[5-ethyl-6-methyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[5-ethyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one Traditional Name: 1-[4-[5-ethyl-6-methyl-2-(m-tolyl)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(=C2CC)C)C3=CC(=CC=C3)C

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC)C)C3=CC(=CC=C3)C

InChI

InChI=1S/C22H30N4O/c1-5-8-20(27)25-11-13-26(14-12-25)22-19(6-2)17(4)23-21(24-22)18-10-7-9-16(3)15-18/h7,9-10,15H,5-6,8,11-14H2,1-4H3