N-[bis(azanyl)methylidene]-2-(5-fluoranyl-2-methoxy-phenyl)-5-methyl-1H-imidazole-4-carboxamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-2-(5-fluoranyl-2-methoxy-phenyl)-5-methyl-1H-imidazole-4-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-2-(5-fluoro-2-methoxy-phenyl)-5-methyl-1H-imidazole-4-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-2-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-2-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-2-(5-fluoro-2-methoxy-phenyl)-5-methyl-1H-imidazole-4-carboxamide; mesylic acid Formula: C15H22FN5O8S2 MolecularWeight: 483.492283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)C2=C(C=CC(=C2)F)OC)C(=O)N=C(N)N.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC1=C(N=C(N1)C2=C(C=CC(=C2)F)OC)C(=O)N=C(N)N.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C13H14FN5O2.2CH4O3S/c1-6-10(12(20)19-13(15)16)18-11(17-6)8-5-7(14)3-4-9(8)21-2;2*1-5(2,3)4/h3-5H,1-2H3,(H,17,18)(H4,15,16,19,20);2*1H3,(H,2,3,4)