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

Systemtic Name: 1-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazino]-2-phenyl-butan-1-one Formula: C28H34N4O MolecularWeight: 442.59576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C(CC)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C(CC)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H34N4O/c1-4-24(23-14-10-7-11-15-23)28(33)32-18-16-31(17-19-32)27-25(20-22-12-8-6-9-13-22)26(5-2)29-21(3)30-27/h6-15,24H,4-5,16-20H2,1-3H3