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

Systemtic Name: methyl 3,4,5-tris(oxidanyl)-6-(7H-purin-6-ylsulfanyl)oxane-2-carboxylate Openeye Name: methyl 3,4,5-trihydroxy-6-(7H-purin-6-ylsulfanyl)tetrahydropyran-2-carboxylate CAS Name: 3,4,5-trihydroxy-6-(7H-purin-6-ylthio)-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl 3,4,5-trihydroxy-6-(7H-purin-6-ylsulfanyl)oxane-2-carboxylate Traditional Name: 3,4,5-trihydroxy-6-(7H-purin-6-ylthio)tetrahydropyran-2-carboxylic acid methyl ester Formula: C12H14N4O6S MolecularWeight: 342.32776

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(C(C(O1)SC2=NC=NC3=C2NC=N3)O)O)O

Isomeric SMILES

COC(=O)C1C(C(C(C(O1)SC2=NC=NC3=C2NC=N3)O)O)O

InChI

InChI=1S/C12H14N4O6S/c1-21-11(20)8-6(18)5(17)7(19)12(22-8)23-10-4-9(14-2-13-4)15-3-16-10/h2-3,5-8,12,17-19H,1H3,(H,13,14,15,16)