9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2-methylsulfanyl-3H-purin-6-one

Systemtic Name: 9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2-methylsulfanyl-3H-purin-6-one Openeye Name: 9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methylsulfanyl-3H-purin-6-one CAS Name: 9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-(methylthio)-3H-purin-6-one IUPAC Name: 9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylsulfanyl-3H-purin-6-one Traditional Name: 9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-2-(methylthio)-3H-purin-6-one Formula: C11H14N4O4S MolecularWeight: 298.31826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=C(N1)N(C=N2)C3CC(C(O3)CO)O

Isomeric SMILES

CSC1=NC(=O)C2=C(N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)O

InChI

InChI=1S/C11H14N4O4S/c1-20-11-13-9-8(10(18)14-11)12-4-15(9)7-2-5(17)6(3-16)19-7/h4-7,16-17H,2-3H2,1H3,(H,13,14,18)/t5-,6+,7+/m0/s1