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

Systemtic Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[5-(2,5-dimethylbenzyl)-6-methyl-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:

CC1=CC(=C(C=C1)C)CC2=C(N=C(N=C2N3CCN(CC3)C(=O)CC(C)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2=C(N=C(N=C2N3CCN(CC3)C(=O)CC(C)C)C4=CC=CC=C4)C

InChI

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