2-[6-(dimethylamino)-2-methylsulfanyl-purin-9-yl]-5-(hydroxymethyl)-4-nitro-oxolan-3-ol

Systemtic Name: 2-[6-(dimethylamino)-2-methylsulfanyl-purin-9-yl]-5-(hydroxymethyl)-4-nitro-oxolan-3-ol Openeye Name: 2-[6-(dimethylamino)-2-methylsulfanyl-purin-9-yl]-5-(hydroxymethyl)-4-nitro-tetrahydrofuran-3-ol CAS Name: 2-[6-(dimethylamino)-2-(methylthio)-9-purinyl]-5-(hydroxymethyl)-4-nitro-3-oxolanol IUPAC Name: 2-[6-(dimethylamino)-2-methylsulfanylpurin-9-yl]-5-(hydroxymethyl)-4-nitrooxolan-3-ol Traditional Name: 2-[6-(dimethylamino)-2-(methylthio)purin-9-yl]-5-methylol-4-nitro-tetrahydrofuran-3-ol Formula: C13H18N6O5S MolecularWeight: 370.38422

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)[N+](=O)[O-])O)SC

Isomeric SMILES

CN(C)C1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)[N+](=O)[O-])O)SC

InChI

InChI=1S/C13H18N6O5S/c1-17(2)10-7-11(16-13(15-10)25-3)18(5-14-7)12-9(21)8(19(22)23)6(4-20)24-12/h5-6,8-9,12,20-21H,4H2,1-3H3