4-[(4-oxidanylidene-1H-pteridin-6-yl)amino]benzenesulfonic acid

Systemtic Name: 4-[(4-oxidanylidene-1H-pteridin-6-yl)amino]benzenesulfonic acid Openeye Name: 4-[(4-oxo-1H-pteridin-6-yl)amino]benzenesulfonic acid CAS Name: 4-[(4-oxo-1H-pteridin-6-yl)amino]benzenesulfonic acid IUPAC Name: 4-[(4-oxo-1H-pteridin-6-yl)amino]benzenesulfonic acid Traditional Name: 4-[(4-keto-1H-pteridin-6-yl)amino]besylic acid Formula: C12H9N5O4S MolecularWeight: 319.29596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=CN=C3C(=N2)C(=O)N=CN3)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC2=CN=C3C(=N2)C(=O)N=CN3)S(=O)(=O)O

InChI

InChI=1S/C12H9N5O4S/c18-12-10-11(14-6-15-12)13-5-9(17-10)16-7-1-3-8(4-2-7)22(19,20)21/h1-6H,(H,16,17)(H,19,20,21)(H,13,14,15,18)