4-[[4-(azepan-1-yl)pyrimidin-2-yl]-methyl-amino]piperidine-1-carboxylic acid

Systemtic Name: 4-[[4-(azepan-1-yl)pyrimidin-2-yl]-methyl-amino]piperidine-1-carboxylic acid Openeye Name: 4-[[4-(azepan-1-yl)pyrimidin-2-yl]-methyl-amino]piperidine-1-carboxylic acid CAS Name: 4-[[4-(1-azepanyl)-2-pyrimidinyl]-methylamino]-1-piperidinecarboxylic acid IUPAC Name: 4-[[4-(azepan-1-yl)pyrimidin-2-yl]-methylamino]piperidine-1-carboxylic acid Traditional Name: 4-[[4-(azepan-1-yl)pyrimidin-2-yl]-methyl-amino]piperidine-1-carboxylic acid Formula: C17H27N5O2 MolecularWeight: 333.42858

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)C(=O)O)C2=NC=CC(=N2)N3CCCCCC3

Isomeric SMILES

CN(C1CCN(CC1)C(=O)O)C2=NC=CC(=N2)N3CCCCCC3

InChI

InChI=1S/C17H27N5O2/c1-20(14-7-12-22(13-8-14)17(23)24)16-18-9-6-15(19-16)21-10-4-2-3-5-11-21/h6,9,14H,2-5,7-8,10-13H2,1H3,(H,23,24)