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

Systemtic Name: 2-(6-azanyl-8-bromanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; phosphoric acid Openeye Name: 2-(6-amino-8-bromo-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; phosphoric acid CAS Name: 2-(6-amino-8-bromo-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol; phosphoric acid IUPAC Name: 2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; phosphoric acid Traditional Name: 2-(6-amino-8-bromo-purin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol; phosphoric acid Formula: C10H21BrN5O16P3 MolecularWeight: 640.122923

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)CO)O)O)Br.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)CO)O)O)Br.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/C10H12BrN5O4.3H3O4P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9;3*1-5(2,3)4/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14);3*(H3,1,2,3,4)