[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(phosphonatooxymethyl)oxolan-3-yl] phosphate

Systemtic Name: [(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(phosphonatooxymethyl)oxolan-3-yl] phosphate Openeye Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(phosphonatooxymethyl)tetrahydrofuran-3-yl] phosphate CAS Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(phosphonatooxymethyl)-3-oxolanyl] phosphate IUPAC Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(phosphonatooxymethyl)oxolan-3-yl] phosphate Traditional Name: [(2R,3S,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-2-(phosphatomethyl)tetrahydrofuran-3-yl] phosphate Formula: C10H11N5O10P2-4 MolecularWeight: 423.169362

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COP(=O)([O-])[O-])OP(=O)([O-])[O-]

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)COP(=O)([O-])[O-])OP(=O)([O-])[O-]

InChI

InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(16)14-10)12-3-15(8)6-1-4(25-27(20,21)22)5(24-6)2-23-26(17,18)19/h3-6H,1-2H2,(H2,17,18,19)(H2,20,21,22)(H3,11,13,14,16)/p-4/t4-,5+,6+/m0/s1