2-(hydroxymethyl)-5-[6-(methylamino)-2-methylsulfanyl-purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-(methylamino)-2-methylsulfanyl-purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-(methylamino)-2-methylsulfanyl-purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-(methylamino)-2-(methylthio)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-(methylamino)-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol Traditional Name: 2-[6-(methylamino)-2-(methylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C12H17N5O4S MolecularWeight: 327.35948

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)SC

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)SC

InChI

InChI=1S/C12H17N5O4S/c1-13-9-6-10(16-12(15-9)22-2)17(4-14-6)11-8(20)7(19)5(3-18)21-11/h4-5,7-8,11,18-20H,3H2,1-2H3,(H,13,15,16)