2-(6-azanyl-8-bromanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 4-nitrobenzenesulfonic acid

Systemtic Name: 2-(6-azanyl-8-bromanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 4-nitrobenzenesulfonic acid Openeye Name: 2-(6-amino-8-bromo-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; 4-nitrobenzenesulfonic acid CAS Name: 2-(6-amino-8-bromo-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol; 4-nitrobenzenesulfonic acid IUPAC Name: 2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 4-nitrobenzenesulfonic acid Traditional Name: 2-(6-amino-8-bromo-purin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol; 4-nitrobesylic acid Formula: C16H17BrN6O9S MolecularWeight: 549.30998

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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=C(N2C3C(C(C(O3)CO)O)O)Br

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)O.C1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)CO)O)O)Br

InChI

InChI=1S/C10H12BrN5O4.C6H5NO5S/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9;8-7(9)5-1-3-6(4-2-5)13(10,11)12/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14);1-4H,(H,10,11,12)