2-[2,4-bis(azanyl)pyrimidin-1-ium-1-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[2,4-bis(azanyl)pyrimidin-1-ium-1-yl]ethoxymethylphosphonic acid Openeye Name: 2-(2,4-diaminopyrimidin-1-ium-1-yl)ethoxymethylphosphonic acid CAS Name: 2-(2,4-diamino-1-pyrimidin-1-iumyl)ethoxymethylphosphonic acid IUPAC Name: 2-(2,4-diaminopyrimidin-1-ium-1-yl)ethoxymethylphosphonic acid Traditional Name: 2-(2,4-diaminopyrimidin-1-ium-1-yl)ethoxymethylphosphonic acid Formula: C7H14N4O4P+ MolecularWeight: 249.184221

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=C(N=C1N)N)CCOCP(=O)(O)O

Isomeric SMILES

C1=C[N+](=C(N=C1N)N)CCOCP(=O)(O)O

InChI

InChI=1S/C7H13N4O4P/c8-6-1-2-11(7(9)10-6)3-4-15-5-16(12,13)14/h1-2H,3-5H2,(H5,8,9,10,12,13,14)/p+1