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

Systemtic Name: 8-azanyl-9-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1-methyl-2-methylsulfanyl-purin-6-one Openeye Name: 8-amino-1-methyl-2-methylsulfanyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]purin-6-one CAS Name: 8-amino-1-methyl-2-(methylthio)-9-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-6-purinone IUPAC Name: 8-amino-1-methyl-2-methylsulfanyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]purin-6-one Traditional Name: 8-amino-1-methyl-2-(methylthio)-9-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)purin-6-one Formula: C13H19N5O6S MolecularWeight: 373.38486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N5O6S/c1-17-10(23)5-9(16-13(17)25-2)18(12(14)15-5)11-8(22)7(21)6(20)4(3-19)24-11/h4,6-8,11,19-22H,3H2,1-2H3,(H2,14,15)