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

Systemtic Name: 2-methylsulfanyl-9-[3,4,5-tris(oxidanyl)oxan-2-yl]-3H-purin-6-one Openeye Name: 2-methylsulfanyl-9-(3,4,5-trihydroxytetrahydropyran-2-yl)-3H-purin-6-one CAS Name: 2-(methylthio)-9-(3,4,5-trihydroxy-2-oxanyl)-3H-purin-6-one IUPAC Name: 2-methylsulfanyl-9-(3,4,5-trihydroxyoxan-2-yl)-3H-purin-6-one Traditional Name: 2-(methylthio)-9-(3,4,5-trihydroxytetrahydropyran-2-yl)-3H-purin-6-one Formula: C11H14N4O5S MolecularWeight: 314.31766

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(CO3)O)O)O

Isomeric SMILES

CSC1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(CO3)O)O)O

InChI

InChI=1S/C11H14N4O5S/c1-21-11-13-8-5(9(19)14-11)12-3-15(8)10-7(18)6(17)4(16)2-20-10/h3-4,6-7,10,16-18H,2H2,1H3,(H,13,14,19)