2-(3-aminocarbonylpyridin-1-ium-1-yl)ethoxy-[2-(6-aminopurin-9-yl)ethoxymethyl]phosphinic acid

Systemtic Name: 2-(3-aminocarbonylpyridin-1-ium-1-yl)ethoxy-[2-(6-aminopurin-9-yl)ethoxymethyl]phosphinic acid Openeye Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[2-(3-carbamoylpyridin-1-ium-1-yl)ethoxy]phosphinic acid CAS Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[2-(3-carbamoyl-1-pyridin-1-iumyl)ethoxy]phosphinic acid IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[2-(3-carbamoylpyridin-1-ium-1-yl)ethoxy]phosphinic acid Traditional Name: 2-adenin-9-ylethoxymethyl-[2-(3-carbamoylpyridin-1-ium-1-yl)ethoxy]phosphinic acid Formula: C16H21N7O5P+ MolecularWeight: 422.355601

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CCOP(=O)(COCCN2C=NC3=C2N=CN=C3N)O)C(=O)N

Isomeric SMILES

C1=CC(=C[N+](=C1)CCOP(=O)(COCCN2C=NC3=C2N=CN=C3N)O)C(=O)N

InChI

InChI=1S/C16H20N7O5P/c17-14-13-16(20-9-19-14)23(10-21-13)5-6-27-11-29(25,26)28-7-4-22-3-1-2-12(8-22)15(18)24/h1-3,8-10H,4-7,11H2,(H4-,17,18,19,20,24,25,26)/p+1