1-[4-[5-[(2,5-dimethylphenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one CAS Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-6-ethyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-6-ethyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[5-(2,5-dimethylbenzyl)-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazino]propan-1-one Formula: C28H34N4O MolecularWeight: 442.59576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N4O/c1-5-25-24(19-23-18-20(3)12-13-21(23)4)28(30-27(29-25)22-10-8-7-9-11-22)32-16-14-31(15-17-32)26(33)6-2/h7-13,18H,5-6,14-17,19H2,1-4H3