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

Systemtic Name: 3,4,5-tris(oxidanyl)-6-(7H-purin-6-ylsulfanyl)oxane-2-carboxylic acid Openeye Name: 3,4,5-trihydroxy-6-(7H-purin-6-ylsulfanyl)tetrahydropyran-2-carboxylic acid CAS Name: 3,4,5-trihydroxy-6-(7H-purin-6-ylthio)-2-oxanecarboxylic acid IUPAC Name: 3,4,5-trihydroxy-6-(7H-purin-6-ylsulfanyl)oxane-2-carboxylic acid Traditional Name: 3,4,5-trihydroxy-6-(7H-purin-6-ylthio)tetrahydropyran-2-carboxylic acid Formula: C11H12N4O6S MolecularWeight: 328.30118

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

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)SC3C(C(C(C(O3)C(=O)O)O)O)O

InChI

InChI=1S/C11H12N4O6S/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)