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

Systemtic Name: 2-[3-(3-aminophenyl)-4-chloranyl-6-cyclobutylimino-1-oxidanyl-pyridin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[3-(3-aminophenyl)-4-chloro-6-cyclobutylimino-1-hydroxy-2-pyridyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[3-(3-aminophenyl)-4-chloro-6-cyclobutylimino-1-hydroxy-2-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[3-(3-aminophenyl)-4-chloro-6-cyclobutylimino-1-hydroxypyridin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[3-(3-aminophenyl)-4-chloro-6-cyclobutylimino-1-hydroxy-2-pyridyl]acetamide Formula: C25H27ClN6O2 MolecularWeight: 478.97388

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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)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)C4=CC(=CC=C4)N)Cl

InChI

InChI=1S/C25H27ClN6O2/c26-20-12-22(31-19-5-2-6-19)32(34)21(24(20)17-3-1-4-18(27)11-17)13-23(33)30-14-15-7-9-16(10-8-15)25(28)29/h1,3-4,7-12,19,34H,2,5-6,13-14,27H2,(H3,28,29)(H,30,33)