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

Systemtic Name: 1-[4-[6-ethyl-5-[(4-methylphenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[6-ethyl-2-phenyl-5-(p-tolylmethyl)pyrimidin-4-yl]piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[6-ethyl-5-[(4-methylphenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[6-ethyl-5-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[6-ethyl-5-(4-methylbenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]-3-methyl-butan-1-one Formula: C29H36N4O MolecularWeight: 456.62234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)CC(C)C)CC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)CC(C)C)CC4=CC=C(C=C4)C

InChI

InChI=1S/C29H36N4O/c1-5-26-25(20-23-13-11-22(4)12-14-23)29(31-28(30-26)24-9-7-6-8-10-24)33-17-15-32(16-18-33)27(34)19-21(2)3/h6-14,21H,5,15-20H2,1-4H3