(2S)-2-(2-methylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: (2S)-2-(2-methylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: (2S)-2-(2-methylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: (2S)-2-(2-methylphenoxy)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: (2S)-2-(2-methylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: (2S)-2-(2-methylphenoxy)-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(C)C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=CC=C1O[C@@H](C)C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H22N4O2/c1-14-6-3-4-7-16(14)24-15(2)17(23)21-10-12-22(13-11-21)18-19-8-5-9-20-18/h3-9,15H,10-13H2,1-2H3/t15-/m0/s1