2-[6-(dimethylamino)-2-methylsulfanyl-purin-9-yl]-6-(nitromethyl)oxane-3,4,5-triol

Systemtic Name: 2-[6-(dimethylamino)-2-methylsulfanyl-purin-9-yl]-6-(nitromethyl)oxane-3,4,5-triol Openeye Name: 2-[6-(dimethylamino)-2-methylsulfanyl-purin-9-yl]-6-(nitromethyl)tetrahydropyran-3,4,5-triol CAS Name: 2-[6-(dimethylamino)-2-(methylthio)-9-purinyl]-6-(nitromethyl)oxane-3,4,5-triol IUPAC Name: 2-[6-(dimethylamino)-2-methylsulfanylpurin-9-yl]-6-(nitromethyl)oxane-3,4,5-triol Traditional Name: 2-[6-(dimethylamino)-2-(methylthio)purin-9-yl]-6-(nitromethyl)tetrahydropyran-3,4,5-triol Formula: C14H20N6O6S MolecularWeight: 400.4102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N6O6S/c1-18(2)11-7-12(17-14(16-11)27-3)19(5-15-7)13-10(23)9(22)8(21)6(26-13)4-20(24)25/h5-6,8-10,13,21-23H,4H2,1-3H3