2-[3-(3-aminophenyl)-4-bromanyl-1-oxidanyl-6-propan-2-ylimino-pyridin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide

Systemtic Name: 2-[3-(3-aminophenyl)-4-bromanyl-1-oxidanyl-6-propan-2-ylimino-pyridin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[3-(3-aminophenyl)-4-bromo-1-hydroxy-6-isopropylimino-2-pyridyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[3-(3-aminophenyl)-4-bromo-1-hydroxy-6-propan-2-ylimino-2-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[3-(3-aminophenyl)-4-bromo-1-hydroxy-6-propan-2-yliminopyridin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[3-(3-aminophenyl)-4-bromo-1-hydroxy-6-isopropylimino-2-pyridyl]acetamide Formula: C24H27BrN6O2 MolecularWeight: 511.41418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27BrN6O2/c1-14(2)30-21-11-19(25)23(17-4-3-5-18(26)10-17)20(31(21)33)12-22(32)29-13-15-6-8-16(9-7-15)24(27)28/h3-11,14,33H,12-13,26H2,1-2H3,(H3,27,28)(H,29,32)