[1-azanyl-2-(1-methylimidazol-4-yl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [1-azanyl-2-(1-methylimidazol-4-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-amino-2-(1-methylimidazol-4-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [1-amino-2-(1-methyl-4-imidazolyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-amino-2-(1-methylimidazol-4-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-amino-2-(1-methylimidazol-4-yl)-1-phosphono-ethyl]phosphonic acid Formula: C6H13N3O6P2 MolecularWeight: 285.131442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)CC(N)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CN1C=C(N=C1)CC(N)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H13N3O6P2/c1-9-3-5(8-4-9)2-6(7,16(10,11)12)17(13,14)15/h3-4H,2,7H2,1H3,(H2,10,11,12)(H2,13,14,15)