9-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-methylsulfanyl-3H-purin-6-one

Systemtic Name: 9-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-methylsulfanyl-3H-purin-6-one Openeye Name: 2-methylsulfanyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-3H-purin-6-one CAS Name: 2-(methylthio)-9-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-3H-purin-6-one IUPAC Name: 2-methylsulfanyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3H-purin-6-one Traditional Name: 2-(methylthio)-9-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)-3H-purin-6-one Formula: C12H16N4O6S MolecularWeight: 344.34364

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(C(O3)CO)O)O)O

Isomeric SMILES

CSC1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(C(O3)CO)O)O)O

InChI

InChI=1S/C12H16N4O6S/c1-23-12-14-9-5(10(21)15-12)13-3-16(9)11-8(20)7(19)6(18)4(2-17)22-11/h3-4,6-8,11,17-20H,2H2,1H3,(H,14,15,21)