(2S)-1-(4-tert-butyl-2-methyl-phenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(4-tert-butyl-2-methyl-phenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-tert-butyl-2-methyl-phenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol CAS Name: (2S)-1-(4-tert-butyl-2-methylphenoxy)-3-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propanol IUPAC Name: (2S)-1-(4-tert-butyl-2-methylphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-tert-butyl-2-methyl-phenoxy)-3-[4-(2-pyrimidyl)piperazino]propan-2-ol Formula: C22H32N4O2 MolecularWeight: 384.51508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2CCN(CC2)C3=NC=CC=N3)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC[C@H](CN2CCN(CC2)C3=NC=CC=N3)O

InChI

InChI=1S/C22H32N4O2/c1-17-14-18(22(2,3)4)6-7-20(17)28-16-19(27)15-25-10-12-26(13-11-25)21-23-8-5-9-24-21/h5-9,14,19,27H,10-13,15-16H2,1-4H3/t19-/m0/s1