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

Systemtic Name: 1-methyl-2-methylsulfanyl-9-[3,4,5-tris(oxidanyl)oxan-2-yl]purin-6-one Openeye Name: 1-methyl-2-methylsulfanyl-9-(3,4,5-trihydroxytetrahydropyran-2-yl)purin-6-one CAS Name: 1-methyl-2-(methylthio)-9-(3,4,5-trihydroxy-2-oxanyl)-6-purinone IUPAC Name: 1-methyl-2-methylsulfanyl-9-(3,4,5-trihydroxyoxan-2-yl)purin-6-one Traditional Name: 1-methyl-2-(methylthio)-9-(3,4,5-trihydroxytetrahydropyran-2-yl)purin-6-one Formula: C12H16N4O5S MolecularWeight: 328.34424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SC)N(C=N2)C3C(C(C(CO3)O)O)O

Isomeric SMILES

CN1C(=O)C2=C(N=C1SC)N(C=N2)C3C(C(C(CO3)O)O)O

InChI

InChI=1S/C12H16N4O5S/c1-15-10(20)6-9(14-12(15)22-2)16(4-13-6)11-8(19)7(18)5(17)3-21-11/h4-5,7-8,11,17-19H,3H2,1-2H3