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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2C(=N1)N=CN=C2SC3C(C(C(C(O3)C(=O)O)O)O)O

Isomeric SMILES

C1=NC2C(=N1)N=CN=C2SC3C(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/h1-7,11,16-18H,(H,19,20)