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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=C(C=CC(=C3)C)C)C)C4=CC=CC=C4

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=C(C=CC(=C3)C)C)C)C4=CC=CC=C4

InChI

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