3-[[[4,6-bis(azanyl)-3-cyano-pyridin-2-yl]amino]methyl]benzenesulfonic acid

Systemtic Name: 3-[[[4,6-bis(azanyl)-3-cyano-pyridin-2-yl]amino]methyl]benzenesulfonic acid Openeye Name: 3-[[(4,6-diamino-3-cyano-2-pyridyl)amino]methyl]benzenesulfonic acid CAS Name: 3-[[(4,6-diamino-3-cyano-2-pyridinyl)amino]methyl]benzenesulfonic acid IUPAC Name: 3-[[(4,6-diamino-3-cyanopyridin-2-yl)amino]methyl]benzenesulfonic acid Traditional Name: 3-[[(4,6-diamino-3-cyano-2-pyridyl)amino]methyl]besylic acid Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)CNC2=C(C(=CC(=N2)N)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)CNC2=C(C(=CC(=N2)N)N)C#N

InChI

InChI=1S/C13H13N5O3S/c14-6-10-11(15)5-12(16)18-13(10)17-7-8-2-1-3-9(4-8)22(19,20)21/h1-5H,7H2,(H,19,20,21)(H5,15,16,17,18)