methyl 3-[[N-cyano-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]benzoate

Systemtic Name: methyl 3-[[N-cyano-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]benzoate Openeye Name: methyl 3-[[N-cyano-N'-(2-pyridylmethyl)carbamimidoyl]amino]benzoate CAS Name: 3-[[(cyanoamino)-(2-pyridinylmethylimino)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[N-cyano-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]benzoate Traditional Name: 3-[[N-cyano-N'-(2-pyridylmethyl)amidino]amino]benzoic acid methyl ester Formula: C16H15N5O2 MolecularWeight: 309.3226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=NCC2=CC=CC=N2)NC#N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=NCC2=CC=CC=N2)NC#N

InChI

InChI=1S/C16H15N5O2/c1-23-15(22)12-5-4-7-13(9-12)21-16(20-11-17)19-10-14-6-2-3-8-18-14/h2-9H,10H2,1H3,(H2,19,20,21)