[1-(6-aminopurin-9-yl)-1,1,2,3,3,3-hexadeuterio-propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [1-(6-aminopurin-9-yl)-1,1,2,3,3,3-hexadeuterio-propan-2-yl]oxymethylphosphonic acid Openeye Name: [1-[(6-aminopurin-9-yl)-dideuterio-methyl]-1,2,2,2-tetradeuterio-ethoxy]methylphosphonic acid CAS Name: [1-(6-aminopurin-9-yl)-1,1,2,3,3,3-hexadeuteriopropan-2-yl]oxymethylphosphonic acid IUPAC Name: [1-(6-aminopurin-9-yl)-1,1,2,3,3,3-hexadeuteriopropan-2-yl]oxymethylphosphonic acid Traditional Name: [1-[adenin-9-yl(dideuterio)methyl]-1,2,2,2-tetradeuterio-ethoxy]methylphosphonic acid Formula: C9H14N5O4P MolecularWeight: 293.249292

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O

Isomeric SMILES

[2H]C([2H])([2H])C([2H])(C([2H])([2H])N1C=NC2=C1N=CN=C2N)OCP(=O)(O)O

InChI

InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/i1D3,2D2,6D