2-(3-imidazol-1-ylpropylamino)pyridine-4-carboxylic acid

Systemtic Name: 2-(3-imidazol-1-ylpropylamino)pyridine-4-carboxylic acid Openeye Name: 2-(3-imidazol-1-ylpropylamino)pyridine-4-carboxylic acid CAS Name: 2-[3-(1-imidazolyl)propylamino]-4-pyridinecarboxylic acid IUPAC Name: 2-(3-imidazol-1-ylpropylamino)pyridine-4-carboxylic acid Traditional Name: 2-(3-imidazol-1-ylpropylamino)isonicotinic acid Formula: C12H14N4O2 MolecularWeight: 246.26516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C=C1C(=O)O)NCCCN2C=CN=C2

Isomeric SMILES

C1=CN=C(C=C1C(=O)O)NCCCN2C=CN=C2

InChI

InChI=1S/C12H14N4O2/c17-12(18)10-2-4-15-11(8-10)14-3-1-6-16-7-5-13-9-16/h2,4-5,7-9H,1,3,6H2,(H,14,15)(H,17,18)