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

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-oxidanyl-2-(phosphonatooxymethyl)oxolan-3-yl] phosphate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(phosphonatooxymethyl)tetrahydrofuran-3-yl] phosphate CAS Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(phosphonatooxymethyl)-3-oxolanyl] phosphate IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(phosphonatooxymethyl)oxolan-3-yl] phosphate Traditional Name: [5-(2-amino-6-keto-3H-purin-9-yl)-4-hydroxy-2-(phosphatomethyl)tetrahydrofuran-3-yl] phosphate Formula: C10H11N5O11P2-4 MolecularWeight: 439.168762

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])[O-])OP(=O)([O-])[O-])O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])[O-])OP(=O)([O-])[O-])O)NC(=NC2=O)N

InChI

InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(26-28(21,22)23)3(25-9)1-24-27(18,19)20/h2-3,5-6,9,16H,1H2,(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/p-4