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

Systemtic Name: 1-[4-[5-ethyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[5-ethyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one CAS Name: 1-[4-[5-ethyl-6-methyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[5-ethyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[5-ethyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]propan-1-one Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)CC)C3=CC(=CC=C3)C)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)CC)C3=CC(=CC=C3)C)C

InChI

InChI=1S/C21H28N4O/c1-5-18-16(4)22-20(17-9-7-8-15(3)14-17)23-21(18)25-12-10-24(11-13-25)19(26)6-2/h7-9,14H,5-6,10-13H2,1-4H3