[(2R)-1-(3-aminocarbonylpyridin-1-ium-1-yl)-3-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [(2R)-1-(3-aminocarbonylpyridin-1-ium-1-yl)-3-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1R)-1-[(6-aminopurin-9-yl)methyl]-2-(3-carbamoylpyridin-1-ium-1-yl)ethoxy]methylphosphonic acid CAS Name: [(2R)-1-(6-aminopurin-9-yl)-3-(3-carbamoyl-1-pyridin-1-iumyl)propan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2R)-1-(6-aminopurin-9-yl)-3-(3-carbamoylpyridin-1-ium-1-yl)propan-2-yl]oxymethylphosphonic acid Traditional Name: [(1R)-1-(adenin-9-ylmethyl)-2-(3-carbamoylpyridin-1-ium-1-yl)ethoxy]methylphosphonic acid Formula: C15H19N7O5P+ MolecularWeight: 408.329021

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(CN2C=NC3=C2N=CN=C3N)OCP(=O)(O)O)C(=O)N

Isomeric SMILES

C1=CC(=C[N+](=C1)C[C@@H](CN2C=NC3=C2N=CN=C3N)OCP(=O)(O)O)C(=O)N

InChI

InChI=1S/C15H18N7O5P/c16-13-12-15(19-7-18-13)22(8-20-12)6-11(27-9-28(24,25)26)5-21-3-1-2-10(4-21)14(17)23/h1-4,7-8,11H,5-6,9H2,(H5-,16,17,18,19,23,24,25,26)/p+1/t11-/m0/s1