6-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]hexanoic acid

Systemtic Name: 6-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]hexanoic acid Openeye Name: 6-[[(cyanoamino)-(4-pyridylamino)methylene]amino]hexanoic acid CAS Name: 6-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]hexanoic acid IUPAC Name: 6-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]hexanoic acid Traditional Name: 6-[[(cyanoamino)-(4-pyridylamino)methylene]amino]hexanoic acid Formula: C13H17N5O2 MolecularWeight: 275.30638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1NC(=NCCCCCC(=O)O)NC#N

Isomeric SMILES

C1=CN=CC=C1NC(=NCCCCCC(=O)O)NC#N

InChI

InChI=1S/C13H17N5O2/c14-10-17-13(18-11-5-8-15-9-6-11)16-7-3-1-2-4-12(19)20/h5-6,8-9H,1-4,7H2,(H,19,20)(H2,15,16,17,18)