5-[[4-(azepan-1-yl)-4H-pyrimidin-3-yl]-(methylamino)amino]hexanoic acid

Systemtic Name: 5-[[4-(azepan-1-yl)-4H-pyrimidin-3-yl]-(methylamino)amino]hexanoic acid Openeye Name: 5-[[4-(azepan-1-yl)-4H-pyrimidin-3-yl]-(methylamino)amino]hexanoic acid CAS Name: 5-[[4-(1-azepanyl)-4H-pyrimidin-3-yl]-(methylamino)amino]hexanoic acid IUPAC Name: 5-[[4-(azepan-1-yl)-4H-pyrimidin-3-yl]-(methylamino)amino]hexanoic acid Traditional Name: 5-[[4-(azepan-1-yl)-4H-pyrimidin-3-yl]-(methylamino)amino]hexanoic acid Formula: C17H31N5O2 MolecularWeight: 337.46034

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(=O)O)N(NC)N1C=NC=CC1N2CCCCCC2

Isomeric SMILES

CC(CCCC(=O)O)N(NC)N1C=NC=CC1N2CCCCCC2

InChI

InChI=1S/C17H31N5O2/c1-15(8-7-9-17(23)24)22(18-2)21-14-19-11-10-16(21)20-12-5-3-4-6-13-20/h10-11,14-16,18H,3-9,12-13H2,1-2H3,(H,23,24)