5-chloranyl-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylate

Systemtic Name: 5-chloranyl-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylate Openeye Name: 5-chloro-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylate CAS Name: 5-chloro-6-[3-(1-imidazolyl)propylamino]-3-pyridinecarboxylate IUPAC Name: 5-chloro-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylate Traditional Name: 5-chloro-6-(3-imidazol-1-ylpropylamino)nicotinate Formula: C12H12ClN4O2- MolecularWeight: 279.70228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCNC2=C(C=C(C=N2)C(=O)[O-])Cl

Isomeric SMILES

C1=CN(C=N1)CCCNC2=C(C=C(C=N2)C(=O)[O-])Cl

InChI

InChI=1S/C12H13ClN4O2/c13-10-6-9(12(18)19)7-16-11(10)15-2-1-4-17-5-3-14-8-17/h3,5-8H,1-2,4H2,(H,15,16)(H,18,19)/p-1