[2-(2-azanylpyrimidin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(2-azanylpyrimidin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(2-aminopyrimidin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(2-amino-1-pyrimidin-1-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(2-aminopyrimidin-1-ium-1-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(2-aminopyrimidin-1-ium-1-yl)-1-phosphono-ethyl]phosphonic acid Formula: C6H12N3O6P2+ MolecularWeight: 284.123502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C([N+](=C1)CC(P(=O)(O)O)P(=O)(O)O)N

Isomeric SMILES

C1=CN=C([N+](=C1)CC(P(=O)(O)O)P(=O)(O)O)N

InChI

InChI=1S/C6H11N3O6P2/c7-6-8-2-1-3-9(6)4-5(16(10,11)12)17(13,14)15/h1-3,5,7H,4H2,(H4,10,11,12,13,14,15)/p+1