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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)CC)CC3=CC=CC(=C3)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)CC)CC3=CC=CC(=C3)C

InChI

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