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

Systemtic Name: [(2R)-1-[2-(dimethylamino)-6-(ethylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1R)-2-[2-(dimethylamino)-6-(ethylamino)-7H-purin-9-ium-9-yl]-1-methyl-ethoxy]methylphosphonic acid CAS Name: [(2R)-1-[2-(dimethylamino)-6-(ethylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2R)-1-[2-(dimethylamino)-6-(ethylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid Traditional Name: [(1R)-2-[2-(dimethylamino)-6-(ethylamino)-7H-purin-9-ium-9-yl]-1-methyl-ethoxy]methylphosphonic acid Formula: C13H24N6O4P+ MolecularWeight: 359.341221

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=C1NC=[N+]2CC(C)OCP(=O)(O)O)N(C)C

Isomeric SMILES

CCNC1=NC(=NC2=C1NC=[N+]2C[C@@H](C)OCP(=O)(O)O)N(C)C

InChI

InChI=1S/C13H23N6O4P/c1-5-14-11-10-12(17-13(16-11)18(3)4)19(7-15-10)6-9(2)23-8-24(20,21)22/h7,9H,5-6,8H2,1-4H3,(H3,14,16,17,20,21,22)/p+1/t9-/m1/s1