methyl 4-[[6-(4-carbamimidoyl-2-fluoranyl-phenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate hydrochloride

Systemtic Name: methyl 4-[[6-(4-carbamimidoyl-2-fluoranyl-phenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate hydrochloride Openeye Name: methyl 4-[[6-(4-carbamimidoyl-2-fluoro-phenyl)-2-methyl-3-oxo-pyridazine-4-carbonyl]amino]cyclohexanecarboxylate hydrochloride CAS Name: 4-[[[6-(4-carbamimidoyl-2-fluorophenyl)-2-methyl-3-oxo-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[6-(4-carbamimidoyl-2-fluorophenyl)-2-methyl-3-oxopyridazine-4-carbonyl]amino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[[6-(4-amidino-2-fluoro-phenyl)-3-keto-2-methyl-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid methyl ester hydrochloride Formula: C21H25ClFN5O4 MolecularWeight: 465.905703

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC(=N1)C2=C(C=C(C=C2)C(=N)N)F)C(=O)NC3CCC(CC3)C(=O)OC.Cl

Isomeric SMILES

CN1C(=O)C(=CC(=N1)C2=C(C=C(C=C2)C(=N)N)F)C(=O)NC3CCC(CC3)C(=O)OC.Cl

InChI

InChI=1S/C21H24FN5O4.ClH/c1-27-20(29)15(19(28)25-13-6-3-11(4-7-13)21(30)31-2)10-17(26-27)14-8-5-12(18(23)24)9-16(14)22;/h5,8-11,13H,3-4,6-7H2,1-2H3,(H3,23,24)(H,25,28);1H