(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(6-thianthren-1-ylpurin-9-yl)oxolane-3,4-diol

Systemtic Name: (2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(6-thianthren-1-ylpurin-9-yl)oxolane-3,4-diol Openeye Name: (2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(6-thianthren-1-ylpurin-9-yl)tetrahydrofuran-3,4-diol CAS Name: (2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-[6-(1-thianthrenyl)-9-purinyl]oxolane-3,4-diol IUPAC Name: (2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(6-thianthren-1-ylpurin-9-yl)oxolane-3,4-diol Traditional Name: (2R,3R,4R,5R)-3-methyl-5-methylol-2-(6-thianthren-1-ylpurin-9-yl)tetrahydrofuran-3,4-diol Formula: C23H20N4O4S2 MolecularWeight: 480.5593

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(OC1N2C=NC3=C(N=CN=C32)C4=C5C(=CC=C4)SC6=CC=CC=C6S5)CO)O)O

Isomeric SMILES

C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)C4=C5C(=CC=C4)SC6=CC=CC=C6S5)CO)O)O

InChI

InChI=1S/C23H20N4O4S2/c1-23(30)20(29)13(9-28)31-22(23)27-11-26-18-17(24-10-25-21(18)27)12-5-4-8-16-19(12)33-15-7-3-2-6-14(15)32-16/h2-8,10-11,13,20,22,28-30H,9H2,1H3/t13-,20-,22-,23-/m1/s1