3-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]propylphosphonic acid hydrochloride

Systemtic Name: 3-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]propylphosphonic acid hydrochloride Openeye Name: 3-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxo-pyridazine-4-carbonyl]amino]propylphosphonic acid hydrochloride CAS Name: 3-[[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxo-4-pyridazinyl]-oxomethyl]amino]propylphosphonic acid hydrochloride IUPAC Name: 3-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl]amino]propylphosphonic acid hydrochloride Traditional Name: 3-[[6-(4-amidinophenyl)-3-keto-2-methyl-pyridazine-4-carbonyl]amino]propylphosphonic acid hydrochloride Formula: C16H21ClN5O5P MolecularWeight: 429.795201

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C(=N)N)C(=O)NCCCP(=O)(O)O.Cl

Isomeric SMILES

CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C(=N)N)C(=O)NCCCP(=O)(O)O.Cl

InChI

InChI=1S/C16H20N5O5P.ClH/c1-21-16(23)12(15(22)19-7-2-8-27(24,25)26)9-13(20-21)10-3-5-11(6-4-10)14(17)18;/h3-6,9H,2,7-8H2,1H3,(H3,17,18)(H,19,22)(H2,24,25,26);1H