[[(2R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-oxidanyl-butoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[(2R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-oxidanyl-butoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[(2R)-4-(2-amino-6-oxo-3H-purin-9-yl)-2-hydroxy-butoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[(2R)-4-(2-amino-6-oxo-3H-purin-9-yl)-2-hydroxybutoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[(2R)-4-(2-amino-6-oxo-3H-purin-9-yl)-2-hydroxybutoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[(2R)-4-(2-amino-6-keto-3H-purin-9-yl)-2-hydroxy-butoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C9H16N5O12P3 MolecularWeight: 479.170923

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CC[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)NC(=NC2=O)N

InChI

InChI=1S/C9H16N5O12P3/c10-9-12-7-6(8(16)13-9)11-4-14(7)2-1-5(15)3-24-28(20,21)26-29(22,23)25-27(17,18)19/h4-5,15H,1-3H2,(H,20,21)(H,22,23)(H2,17,18,19)(H3,10,12,13,16)/t5-/m1/s1