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

Systemtic Name: 2-[3-(3-aminophenyl)-4-chloranyl-1-oxidanyl-6-propan-2-ylimino-pyridin-2-yl]-N-[(4-carbamimidoyl-2-fluoranyl-phenyl)methyl]ethanamide Openeye Name: 2-[3-(3-aminophenyl)-4-chloro-1-hydroxy-6-isopropylimino-2-pyridyl]-N-[(4-carbamimidoyl-2-fluoro-phenyl)methyl]acetamide CAS Name: 2-[3-(3-aminophenyl)-4-chloro-1-hydroxy-6-propan-2-ylimino-2-pyridinyl]-N-[(4-carbamimidoyl-2-fluorophenyl)methyl]acetamide IUPAC Name: 2-[3-(3-aminophenyl)-4-chloro-1-hydroxy-6-propan-2-yliminopyridin-2-yl]-N-[(4-carbamimidoyl-2-fluorophenyl)methyl]acetamide Traditional Name: N-(4-amidino-2-fluoro-benzyl)-2-[3-(3-aminophenyl)-4-chloro-1-hydroxy-6-isopropylimino-2-pyridyl]acetamide Formula: C24H26ClFN6O2 MolecularWeight: 484.953643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C1C=C(C(=C(N1O)CC(=O)NCC2=C(C=C(C=C2)C(=N)N)F)C3=CC(=CC=C3)N)Cl

Isomeric SMILES

CC(C)N=C1C=C(C(=C(N1O)CC(=O)NCC2=C(C=C(C=C2)C(=N)N)F)C3=CC(=CC=C3)N)Cl

InChI

InChI=1S/C24H26ClFN6O2/c1-13(2)31-21-10-18(25)23(14-4-3-5-17(27)8-14)20(32(21)34)11-22(33)30-12-16-7-6-15(24(28)29)9-19(16)26/h3-10,13,34H,11-12,27H2,1-2H3,(H3,28,29)(H,30,33)