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

Systemtic Name: 1-[4-[6-ethyl-5-[(3-methylphenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-2-methoxy-ethanone Openeye Name: 1-[4-[6-ethyl-5-(m-tolylmethyl)-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-2-methoxy-ethanone CAS Name: 1-[4-[6-ethyl-5-[(3-methylphenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-2-methoxyethanone IUPAC Name: 1-[4-[6-ethyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone Traditional Name: 1-[4-[6-ethyl-5-(3-methylbenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]-2-methoxy-ethanone Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O2/c1-4-24-23(18-21-10-8-9-20(2)17-21)27(29-26(28-24)22-11-6-5-7-12-22)31-15-13-30(14-16-31)25(32)19-33-3/h5-12,17H,4,13-16,18-19H2,1-3H3