2-[3-(3-aminophenyl)-4-chloranyl-6-cyclobutylimino-1-oxidanyl-pyridin-2-yl]-N-[(4-carbamimidoyl-3-fluoranyl-phenyl)methyl]ethanamide

Systemtic Name: 2-[3-(3-aminophenyl)-4-chloranyl-6-cyclobutylimino-1-oxidanyl-pyridin-2-yl]-N-[(4-carbamimidoyl-3-fluoranyl-phenyl)methyl]ethanamide Openeye Name: 2-[3-(3-aminophenyl)-4-chloro-6-cyclobutylimino-1-hydroxy-2-pyridyl]-N-[(4-carbamimidoyl-3-fluoro-phenyl)methyl]acetamide CAS Name: 2-[3-(3-aminophenyl)-4-chloro-6-cyclobutylimino-1-hydroxy-2-pyridinyl]-N-[(4-carbamimidoyl-3-fluorophenyl)methyl]acetamide IUPAC Name: 2-[3-(3-aminophenyl)-4-chloro-6-cyclobutylimino-1-hydroxypyridin-2-yl]-N-[(4-carbamimidoyl-3-fluorophenyl)methyl]acetamide Traditional Name: N-(4-amidino-3-fluoro-benzyl)-2-[3-(3-aminophenyl)-4-chloro-6-cyclobutylimino-1-hydroxy-2-pyridyl]acetamide Formula: C25H26ClFN6O2 MolecularWeight: 496.964343

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N=C2C=C(C(=C(N2O)CC(=O)NCC3=CC(=C(C=C3)C(=N)N)F)C4=CC(=CC=C4)N)Cl

Isomeric SMILES

C1CC(C1)N=C2C=C(C(=C(N2O)CC(=O)NCC3=CC(=C(C=C3)C(=N)N)F)C4=CC(=CC=C4)N)Cl

InChI

InChI=1S/C25H26ClFN6O2/c26-19-11-22(32-17-5-2-6-17)33(35)21(24(19)15-3-1-4-16(28)10-15)12-23(34)31-13-14-7-8-18(25(29)30)20(27)9-14/h1,3-4,7-11,17,35H,2,5-6,12-13,28H2,(H3,29,30)(H,31,34)