1-[4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-3,5,5-trimethyl-hexan-1-one

Systemtic Name: 1-[4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-3,5,5-trimethyl-hexan-1-one Openeye Name: 1-[4-[5-ethyl-6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazin-1-yl]-3,5,5-trimethyl-hexan-1-one CAS Name: 1-[4-[5-ethyl-6-methyl-2-(4-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-3,5,5-trimethyl-1-hexanone IUPAC Name: 1-[4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-3,5,5-trimethylhexan-1-one Traditional Name: 1-[4-[5-ethyl-6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazino]-3,5,5-trimethyl-hexan-1-one Formula: C27H40N4O MolecularWeight: 436.6327

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)CC(C)CC(C)(C)C)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)CC(C)CC(C)(C)C)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C27H40N4O/c1-8-23-21(4)28-25(22-11-9-19(2)10-12-22)29-26(23)31-15-13-30(14-16-31)24(32)17-20(3)18-27(5,6)7/h9-12,20H,8,13-18H2,1-7H3