2-[4,6-bis(azanyl)pyrimidin-1-ium-1-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-1-ium-1-yl]ethoxymethylphosphonic acid Openeye Name: 2-(4,6-diaminopyrimidin-1-ium-1-yl)ethoxymethylphosphonic acid CAS Name: 2-(4,6-diamino-1-pyrimidin-1-iumyl)ethoxymethylphosphonic acid IUPAC Name: 2-(4,6-diaminopyrimidin-1-ium-1-yl)ethoxymethylphosphonic acid Traditional Name: 2-(4,6-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)CCOCP(=O)(O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C7H13N4O4P/c8-6-3-7(9)11(4-10-6)1-2-15-5-16(12,13)14/h3-4H,1-2,5H2,(H5,8,9,12,13,14)/p+1