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

Systemtic Name: 3-[[2,4-bis(azanyl)-5-cyano-2H-pyridin-1-yl]-ethyl-amino]benzenesulfonic acid Openeye Name: 3-[(2,4-diamino-5-cyano-2H-pyridin-1-yl)-ethyl-amino]benzenesulfonic acid CAS Name: 3-[(2,4-diamino-5-cyano-2H-pyridin-1-yl)-ethylamino]benzenesulfonic acid IUPAC Name: 3-[(2,4-diamino-5-cyano-2H-pyridin-1-yl)-ethylamino]benzenesulfonic acid Traditional Name: 3-[(2,4-diamino-5-cyano-2H-pyridin-1-yl)-ethyl-amino]besylic acid Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O3S/c1-2-18(11-4-3-5-12(6-11)23(20,21)22)19-9-10(8-15)13(16)7-14(19)17/h3-7,9,14H,2,16-17H2,1H3,(H,20,21,22)