[5-(6-azanyl-8-bromanyl-purin-9-yl)-4-oxidanyl-2-(phosphonatooxymethyl)oxolan-3-yl] phosphate

Systemtic Name: [5-(6-azanyl-8-bromanyl-purin-9-yl)-4-oxidanyl-2-(phosphonatooxymethyl)oxolan-3-yl] phosphate Openeye Name: [5-(6-amino-8-bromo-purin-9-yl)-4-hydroxy-2-(phosphonatooxymethyl)tetrahydrofuran-3-yl] phosphate CAS Name: [5-(6-amino-8-bromo-9-purinyl)-4-hydroxy-2-(phosphonatooxymethyl)-3-oxolanyl] phosphate IUPAC Name: [5-(6-amino-8-bromopurin-9-yl)-4-hydroxy-2-(phosphonatooxymethyl)oxolan-3-yl] phosphate Traditional Name: [5-(6-amino-8-bromo-purin-9-yl)-4-hydroxy-2-(phosphatomethyl)tetrahydrofuran-3-yl] phosphate Formula: C10H10BrN5O10P2-4 MolecularWeight: 502.065422

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)COP(=O)([O-])[O-])OP(=O)([O-])[O-])O)Br

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)COP(=O)([O-])[O-])OP(=O)([O-])[O-])O)Br

InChI

InChI=1S/C10H14BrN5O10P2/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6(26-28(21,22)23)3(25-9)1-24-27(18,19)20/h2-3,5-6,9,17H,1H2,(H2,12,13,14)(H2,18,19,20)(H2,21,22,23)/p-4