(2S)-2-bromanyl-3-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one

Systemtic Name: (2S)-2-bromanyl-3-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one Openeye Name: (2S)-2-bromo-3-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one CAS Name: (2S)-2-bromo-3-methyl-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-butanone IUPAC Name: (2S)-2-bromo-3-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one Traditional Name: (2S)-2-bromo-3-methyl-1-[4-(2-pyrimidyl)piperazino]butan-1-one Formula: C13H19BrN4O MolecularWeight: 327.22016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19BrN4O/c1-10(2)11(14)12(19)17-6-8-18(9-7-17)13-15-4-3-5-16-13/h3-5,10-11H,6-9H2,1-2H3/t11-/m0/s1