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

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] phosphono hydrogen phosphate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] phosphono hydrogen phosphate CAS Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] phosphono hydrogen phosphate IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] phosphono hydrogen phosphate Traditional Name: [5-(2-amino-6-keto-3H-purin-9-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] phosphono hydrogen phosphate Formula: C10H15N5O11P2 MolecularWeight: 443.200522

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)CO)OP(=O)(O)OP(=O)(O)O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)CO)OP(=O)(O)OP(=O)(O)O)O)NC(=NC2=O)N

InChI

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