2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 4-nitrobenzenesulfonic acid

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 4-nitrobenzenesulfonic acid Openeye Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; 4-nitrobenzenesulfonic acid CAS Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 4-nitrobenzenesulfonic acid IUPAC Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 4-nitrobenzenesulfonic acid Traditional Name: 2-adenin-9-yl-5-methylol-tetrahydrofuran-3,4-diol; 4-nitrobesylic acid Formula: C16H18N6O9S MolecularWeight: 470.41392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)O.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)O.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C10H13N5O4.C6H5NO5S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;8-7(9)5-1-3-6(4-2-5)13(10,11)12/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13);1-4H,(H,10,11,12)