2-[(7-methyl-8-oxidanylidene-9H-purin-6-yl)amino]ethanesulfonic acid

Systemtic Name: 2-[(7-methyl-8-oxidanylidene-9H-purin-6-yl)amino]ethanesulfonic acid Openeye Name: 2-[(7-methyl-8-oxo-9H-purin-6-yl)amino]ethanesulfonic acid CAS Name: 2-[(7-methyl-8-oxo-9H-purin-6-yl)amino]ethanesulfonic acid IUPAC Name: 2-[(7-methyl-8-oxo-9H-purin-6-yl)amino]ethanesulfonic acid Traditional Name: 2-[(8-keto-7-methyl-9H-purin-6-yl)amino]ethanesulfonic acid Formula: C8H11N5O4S MolecularWeight: 273.26904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(NC1=O)N=CN=C2NCCS(=O)(=O)O

Isomeric SMILES

CN1C2=C(NC1=O)N=CN=C2NCCS(=O)(=O)O

InChI

InChI=1S/C8H11N5O4S/c1-13-5-6(9-2-3-18(15,16)17)10-4-11-7(5)12-8(13)14/h4H,2-3H2,1H3,(H,15,16,17)(H2,9,10,11,12,14)