2-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methoxy]-1-oxidanyl-ethanesulfonic acid

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methoxy]-1-oxidanyl-ethanesulfonic acid Openeye Name: 2-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methoxy]-1-hydroxy-ethanesulfonic acid CAS Name: 2-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methoxy]-1-hydroxyethanesulfonic acid IUPAC Name: 2-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methoxy]-1-hydroxyethanesulfonic acid Traditional Name: 2-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)methoxy]-1-hydroxy-ethanesulfonic acid Formula: C8H13N5O6S MolecularWeight: 307.28372

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1COCC(O)S(=O)(=O)O)NC(=NC2=O)N

Isomeric SMILES

C1NC2=C(N1COCC(O)S(=O)(=O)O)NC(=NC2=O)N

InChI

InChI=1S/C8H13N5O6S/c9-8-11-6-5(7(15)12-8)10-2-13(6)3-19-1-4(14)20(16,17)18/h4,10,14H,1-3H2,(H,16,17,18)(H3,9,11,12,15)