1-[4-[5-[(2,5-dimethylphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]-3-phenoxy-propan-2-ol

Systemtic Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]-3-phenoxy-propan-2-ol Openeye Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]-3-phenoxy-propan-2-ol CAS Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-3-phenoxy-2-propanol IUPAC Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-3-phenoxypropan-2-ol Traditional Name: 1-[4-[5-(2,5-dimethylbenzyl)-2,6-dimethyl-pyrimidin-4-yl]piperazino]-3-phenoxy-propan-2-ol Formula: C28H36N4O2 MolecularWeight: 460.61104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2=C(N=C(N=C2N3CCN(CC3)CC(COC4=CC=CC=C4)O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2=C(N=C(N=C2N3CCN(CC3)CC(COC4=CC=CC=C4)O)C)C

InChI

InChI=1S/C28H36N4O2/c1-20-10-11-21(2)24(16-20)17-27-22(3)29-23(4)30-28(27)32-14-12-31(13-15-32)18-25(33)19-34-26-8-6-5-7-9-26/h5-11,16,25,33H,12-15,17-19H2,1-4H3