9-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1-methyl-2-methylsulfanyl-purin-6-one

Systemtic Name: 9-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1-methyl-2-methylsulfanyl-purin-6-one Openeye Name: 1-methyl-2-methylsulfanyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]purin-6-one CAS Name: 1-methyl-2-(methylthio)-9-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-6-purinone IUPAC Name: 1-methyl-2-methylsulfanyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]purin-6-one Traditional Name: 1-methyl-2-(methylthio)-9-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)purin-6-one Formula: C13H18N4O6S MolecularWeight: 358.37022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SC)N(C=N2)C3C(C(C(C(O3)CO)O)O)O

Isomeric SMILES

CN1C(=O)C2=C(N=C1SC)N(C=N2)C3C(C(C(C(O3)CO)O)O)O

InChI

InChI=1S/C13H18N4O6S/c1-16-11(22)6-10(15-13(16)24-2)17(4-14-6)12-9(21)8(20)7(19)5(3-18)23-12/h4-5,7-9,12,18-21H,3H2,1-2H3