diazanium [2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-3-ethoxycarbonyloxy-propyl] phosphate

Systemtic Name: diazanium [2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-3-ethoxycarbonyloxy-propyl] phosphate Openeye Name: diammonium [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-ethoxycarbonyloxy-propyl] phosphate CAS Name: diammonium [2-[[2-chloro-6-(methylamino)-9-purinyl]methyl]-3-ethoxycarbonyloxypropyl] phosphate IUPAC Name: diazanium [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-ethoxycarbonyloxypropyl] phosphate Traditional Name: diammonium [2-(carbethoxyoxymethyl)-3-[2-chloro-6-(methylamino)purin-9-yl]propyl] phosphate Formula: C13H25ClN7O7P MolecularWeight: 457.807061

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OCC(CN1C=NC2=C1N=C(N=C2NC)Cl)COP(=O)([O-])[O-].[NH4+].[NH4+]

Isomeric SMILES

CCOC(=O)OCC(CN1C=NC2=C1N=C(N=C2NC)Cl)COP(=O)([O-])[O-].[NH4+].[NH4+]

InChI

InChI=1S/C13H19ClN5O7P.2H3N/c1-3-24-13(20)25-5-8(6-26-27(21,22)23)4-19-7-16-9-10(15-2)17-12(14)18-11(9)19;;/h7-8H,3-6H2,1-2H3,(H,15,17,18)(H2,21,22,23);2*1H3