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

Systemtic Name: 4-[[4,6-bis(azanyl)-3-cyano-pyridin-2-yl]amino]benzenesulfonic acid Openeye Name: 4-[(4,6-diamino-3-cyano-2-pyridyl)amino]benzenesulfonic acid CAS Name: 4-[(4,6-diamino-3-cyano-2-pyridinyl)amino]benzenesulfonic acid IUPAC Name: 4-[(4,6-diamino-3-cyanopyridin-2-yl)amino]benzenesulfonic acid Traditional Name: 4-[(4,6-diamino-3-cyano-2-pyridyl)amino]besylic acid Formula: C12H11N5O3S MolecularWeight: 305.31244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C(=CC(=N2)N)N)C#N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C(=CC(=N2)N)N)C#N)S(=O)(=O)O

InChI

InChI=1S/C12H11N5O3S/c13-6-9-10(14)5-11(15)17-12(9)16-7-1-3-8(4-2-7)21(18,19)20/h1-5H,(H,18,19,20)(H5,14,15,16,17)