[4,5-diacetyloxy-6-[6-(dimethylamino)-2-methylsulfanyl-purin-9-yl]-2-(nitromethyl)oxan-3-yl] ethanoate

Systemtic Name: [4,5-diacetyloxy-6-[6-(dimethylamino)-2-methylsulfanyl-purin-9-yl]-2-(nitromethyl)oxan-3-yl] ethanoate Openeye Name: [4,5-diacetoxy-6-[6-(dimethylamino)-2-methylsulfanyl-purin-9-yl]-2-(nitromethyl)tetrahydropyran-3-yl] acetate CAS Name: acetic acid [4,5-diacetyloxy-6-[6-(dimethylamino)-2-(methylthio)-9-purinyl]-2-(nitromethyl)-3-oxanyl] ester IUPAC Name: [4,5-diacetyloxy-6-[6-(dimethylamino)-2-methylsulfanylpurin-9-yl]-2-(nitromethyl)oxan-3-yl] acetate Traditional Name: acetic acid [4,5-diacetoxy-6-[6-(dimethylamino)-2-(methylthio)purin-9-yl]-2-(nitromethyl)tetrahydropyran-3-yl] ester Formula: C20H26N6O9S MolecularWeight: 526.52024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)N2C=NC3=C2N=C(N=C3N(C)C)SC)C[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)N2C=NC3=C2N=C(N=C3N(C)C)SC)C[N+](=O)[O-]

InChI

InChI=1S/C20H26N6O9S/c1-9(27)32-14-12(7-26(30)31)35-19(16(34-11(3)29)15(14)33-10(2)28)25-8-21-13-17(24(4)5)22-20(36-6)23-18(13)25/h8,12,14-16,19H,7H2,1-6H3