1-[3,5-bis(azanyl)pyridin-2-yl]azepane-2-carboxylic acid

Systemtic Name: 1-[3,5-bis(azanyl)pyridin-2-yl]azepane-2-carboxylic acid Openeye Name: 1-(3,5-diamino-2-pyridyl)azepane-2-carboxylic acid CAS Name: 1-(3,5-diamino-2-pyridinyl)-2-azepanecarboxylic acid IUPAC Name: 1-(3,5-diaminopyridin-2-yl)azepane-2-carboxylic acid Traditional Name: 1-(3,5-diamino-2-pyridyl)azepane-2-carboxylic acid Formula: C12H18N4O2 MolecularWeight: 250.29692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C2=C(C=C(C=N2)N)N)C(=O)O

Isomeric SMILES

C1CCC(N(CC1)C2=C(C=C(C=N2)N)N)C(=O)O

InChI

InChI=1S/C12H18N4O2/c13-8-6-9(14)11(15-7-8)16-5-3-1-2-4-10(16)12(17)18/h6-7,10H,1-5,13-14H2,(H,17,18)