3-[[2,4-bis(azanyl)-5-cyano-2H-pyridin-1-yl]-methyl-amino]benzenesulfonic acid

Systemtic Name: 3-[[2,4-bis(azanyl)-5-cyano-2H-pyridin-1-yl]-methyl-amino]benzenesulfonic acid Openeye Name: 3-[(2,4-diamino-5-cyano-2H-pyridin-1-yl)-methyl-amino]benzenesulfonic acid CAS Name: 3-[(2,4-diamino-5-cyano-2H-pyridin-1-yl)-methylamino]benzenesulfonic acid IUPAC Name: 3-[(2,4-diamino-5-cyano-2H-pyridin-1-yl)-methylamino]benzenesulfonic acid Traditional Name: 3-[(2,4-diamino-5-cyano-2H-pyridin-1-yl)-methyl-amino]besylic acid Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=CC=C1)S(=O)(=O)O)N2C=C(C(=CC2N)N)C#N

Isomeric SMILES

CN(C1=CC(=CC=C1)S(=O)(=O)O)N2C=C(C(=CC2N)N)C#N

InChI

InChI=1S/C13H15N5O3S/c1-17(10-3-2-4-11(5-10)22(19,20)21)18-8-9(7-14)12(15)6-13(18)16/h2-6,8,13H,15-16H2,1H3,(H,19,20,21)