(2S)-2-(2-bromanyl-4-chloranyl-phenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: (2S)-2-(2-bromanyl-4-chloranyl-phenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: (2S)-2-(2-bromo-4-chloro-phenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: (2S)-2-(2-bromo-4-chlorophenoxy)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: (2S)-2-(2-bromo-4-chlorophenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: (2S)-2-(2-bromo-4-chloro-phenoxy)-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C17H18BrClN4O2 MolecularWeight: 425.70742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NC=CC=N2)OC3=C(C=C(C=C3)Cl)Br

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=NC=CC=N2)OC3=C(C=C(C=C3)Cl)Br

InChI

InChI=1S/C17H18BrClN4O2/c1-12(25-15-4-3-13(19)11-14(15)18)16(24)22-7-9-23(10-8-22)17-20-5-2-6-21-17/h2-6,11-12H,7-10H2,1H3/t12-/m0/s1