3,3-dimethyl-5-oxidanylidene-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid

Systemtic Name: 3,3-dimethyl-5-oxidanylidene-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid Openeye Name: 3,3-dimethyl-5-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid CAS Name: 3,3-dimethyl-5-oxo-5-[4-(2-pyrimidinyl)-1-piperazinyl]pentanoic acid IUPAC Name: 3,3-dimethyl-5-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid Traditional Name: 5-keto-3,3-dimethyl-5-[4-(2-pyrimidyl)piperazino]valeric acid Formula: C15H22N4O3 MolecularWeight: 306.36018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O3/c1-15(2,11-13(21)22)10-12(20)18-6-8-19(9-7-18)14-16-4-3-5-17-14/h3-5H,6-11H2,1-2H3,(H,21,22)