2-(3-aminocarbonylpyridin-1-ium-1-yl)ethoxy-[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl]phosphinate

Systemtic Name: 2-(3-aminocarbonylpyridin-1-ium-1-yl)ethoxy-[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl]phosphinate Openeye Name: [(1R)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-[2-(3-carbamoylpyridin-1-ium-1-yl)ethoxy]phosphinate CAS Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(3-carbamoyl-1-pyridin-1-iumyl)ethoxy]phosphinate IUPAC Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(3-carbamoylpyridin-1-ium-1-yl)ethoxy]phosphinate Traditional Name: [(1R)-2-adenin-9-yl-1-methyl-ethoxy]methyl-[2-(3-carbamoylpyridin-1-ium-1-yl)ethoxy]phosphinate Formula: C17H22N7O5P MolecularWeight: 435.374241

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1N=CN=C2N)OCP(=O)([O-])OCC[N+]3=CC=CC(=C3)C(=O)N

Isomeric SMILES

C[C@H](CN1C=NC2=C1N=CN=C2N)OCP(=O)([O-])OCC[N+]3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C17H22N7O5P/c1-12(7-24-10-22-14-15(18)20-9-21-17(14)24)28-11-30(26,27)29-6-5-23-4-2-3-13(8-23)16(19)25/h2-4,8-10,12H,5-7,11H2,1H3,(H4-,18,19,20,21,25,26,27)/t12-/m1/s1