methyl 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxane-2-carboxylate

Systemtic Name: methyl 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxane-2-carboxylate Openeye Name: methyl 3,4,5-triacetoxy-6-(6-thioxo-3H-purin-9-yl)tetrahydropyran-2-carboxylate CAS Name: 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxane-2-carboxylate Traditional Name: 3,4,5-triacetoxy-6-(6-thioxo-3H-purin-9-yl)tetrahydropyran-2-carboxylic acid methyl ester Formula: C18H20N4O9S MolecularWeight: 468.4378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC(C1OC(=O)C)N2C=NC3=C2NC=NC3=S)C(=O)OC)OC(=O)C

Isomeric SMILES

CC(=O)OC1C(C(OC(C1OC(=O)C)N2C=NC3=C2NC=NC3=S)C(=O)OC)OC(=O)C

InChI

InChI=1S/C18H20N4O9S/c1-7(23)28-11-12(29-8(2)24)14(18(26)27-4)31-17(13(11)30-9(3)25)22-6-21-10-15(22)19-5-20-16(10)32/h5-6,11-14,17H,1-4H3,(H,19,20,32)