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

Systemtic Name: 3-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one Openeye Name: 3-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one CAS Name: 3-methyl-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-butanone IUPAC Name: 3-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one Traditional Name: 3-methyl-1-[4-(2-pyrimidyl)piperazino]butan-1-one Formula: C13H20N4O MolecularWeight: 248.3241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O/c1-11(2)10-12(18)16-6-8-17(9-7-16)13-14-4-3-5-15-13/h3-5,11H,6-10H2,1-2H3