azanium 3,4,5-tris(oxidanyl)-6-(7H-purin-6-ylsulfanyl)oxane-2-carboxylate

Systemtic Name: azanium 3,4,5-tris(oxidanyl)-6-(7H-purin-6-ylsulfanyl)oxane-2-carboxylate Openeye Name: ammonium 3,4,5-trihydroxy-6-(7H-purin-6-ylsulfanyl)tetrahydropyran-2-carboxylate CAS Name: ammonium 3,4,5-trihydroxy-6-(7H-purin-6-ylthio)-2-oxanecarboxylate IUPAC Name: azanium 3,4,5-trihydroxy-6-(7H-purin-6-ylsulfanyl)oxane-2-carboxylate Traditional Name: ammonium 3,4,5-trihydroxy-6-(7H-purin-6-ylthio)tetrahydropyran-2-carboxylate Formula: C11H15N5O6S MolecularWeight: 345.3317

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)SC3C(C(C(C(O3)C(=O)[O-])O)O)O.[NH4+]

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)SC3C(C(C(C(O3)C(=O)[O-])O)O)O.[NH4+]

InChI

InChI=1S/C11H12N4O6S.H3N/c16-4-5(17)7(10(19)20)21-11(6(4)18)22-9-3-8(13-1-12-3)14-2-15-9;/h1-2,4-7,11,16-18H,(H,19,20)(H,12,13,14,15);1H3