(2S)-2-(3,4-dimethylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: (2S)-2-(3,4-dimethylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: (2S)-2-(3,4-dimethylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: (2S)-2-(3,4-dimethylphenoxy)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: (2S)-2-(3,4-dimethylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: (2S)-2-(3,4-dimethylphenoxy)-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C19H24N4O2 MolecularWeight: 340.41946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(C)C(=O)N2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)O[C@@H](C)C(=O)N2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C19H24N4O2/c1-14-5-6-17(13-15(14)2)25-16(3)18(24)22-9-11-23(12-10-22)19-20-7-4-8-21-19/h4-8,13,16H,9-12H2,1-3H3/t16-/m0/s1