[(2R)-1-[2-azanyl-6-(dimethylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [(2R)-1-[2-azanyl-6-(dimethylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1R)-2-[2-amino-6-(dimethylamino)-7H-purin-9-ium-9-yl]-1-methyl-ethoxy]methylphosphonic acid CAS Name: [(2R)-1-[2-amino-6-(dimethylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2R)-1-[2-amino-6-(dimethylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid Traditional Name: [(1R)-2-[2-amino-6-(dimethylamino)-7H-purin-9-ium-9-yl]-1-methyl-ethoxy]methylphosphonic acid Formula: C11H20N6O4P+ MolecularWeight: 331.288061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+]1=CNC2=C1N=C(N=C2N(C)C)N)OCP(=O)(O)O

Isomeric SMILES

C[C@H](C[N+]1=CNC2=C1N=C(N=C2N(C)C)N)OCP(=O)(O)O

InChI

InChI=1S/C11H19N6O4P/c1-7(21-6-22(18,19)20)4-17-5-13-8-9(16(2)3)14-11(12)15-10(8)17/h5,7H,4,6H2,1-3H3,(H4,12,14,15,18,19,20)/p+1/t7-/m1/s1