2-azanyl-3-[6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-yl]propanoic acid Openeye Name: 2-amino-3-[6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-pyridyl]propanoic acid CAS Name: 2-amino-3-[6-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-pyridinyl]propanoic acid IUPAC Name: 2-amino-3-[6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyridin-2-yl]propanoic acid Traditional Name: 2-amino-3-[6-[[4-(2-pyrimidyl)piperazino]methyl]-2-pyridyl]propionic acid Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=N2)CC(C(=O)O)N)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=N2)CC(C(=O)O)N)C3=NC=CC=N3

InChI

InChI=1S/C17H22N6O2/c18-15(16(24)25)11-13-3-1-4-14(21-13)12-22-7-9-23(10-8-22)17-19-5-2-6-20-17/h1-6,15H,7-12,18H2,(H,24,25)