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

Systemtic Name: 2-[3-(3-aminophenyl)-1-oxidanyl-6-pentan-3-ylimino-pyridin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[3-(3-aminophenyl)-6-(1-ethylpropylimino)-1-hydroxy-2-pyridyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[3-(3-aminophenyl)-1-hydroxy-6-pentan-3-ylimino-2-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[3-(3-aminophenyl)-1-hydroxy-6-pentan-3-yliminopyridin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[3-(3-aminophenyl)-6-(1-ethylpropylimino)-1-hydroxy-2-pyridyl]acetamide Formula: C26H32N6O2 MolecularWeight: 460.57128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N6O2/c1-3-21(4-2)31-24-13-12-22(19-6-5-7-20(27)14-19)23(32(24)34)15-25(33)30-16-17-8-10-18(11-9-17)26(28)29/h5-14,21,34H,3-4,15-16,27H2,1-2H3,(H3,28,29)(H,30,33)