(2S,5R)-2-(hydroxymethyl)-5-[6-(methylamino)-2-methylsulfanyl-purin-9-yl]oxolan-3-ol

Systemtic Name: (2S,5R)-2-(hydroxymethyl)-5-[6-(methylamino)-2-methylsulfanyl-purin-9-yl]oxolan-3-ol Openeye Name: (2S,5R)-2-(hydroxymethyl)-5-[6-(methylamino)-2-methylsulfanyl-purin-9-yl]tetrahydrofuran-3-ol CAS Name: (2S,5R)-2-(hydroxymethyl)-5-[6-(methylamino)-2-(methylthio)-9-purinyl]-3-oxolanol IUPAC Name: (2S,5R)-2-(hydroxymethyl)-5-[6-(methylamino)-2-methylsulfanylpurin-9-yl]oxolan-3-ol Traditional Name: (2S,5R)-5-[6-(methylamino)-2-(methylthio)purin-9-yl]-2-methylol-tetrahydrofuran-3-ol Formula: C12H17N5O3S MolecularWeight: 311.36008

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2C3CC(C(O3)CO)O)SC

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2[C@H]3CC([C@@H](O3)CO)O)SC

InChI

InChI=1S/C12H17N5O3S/c1-13-10-9-11(16-12(15-10)21-2)17(5-14-9)8-3-6(19)7(4-18)20-8/h5-8,18-19H,3-4H2,1-2H3,(H,13,15,16)/t6?,7-,8+/m0/s1