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

Systemtic Name: 2-[3-(3-aminophenyl)-6-butylimino-4-chloranyl-1-oxidanyl-pyridin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[3-(3-aminophenyl)-6-butylimino-4-chloro-1-hydroxy-2-pyridyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[3-(3-aminophenyl)-6-butylimino-4-chloro-1-hydroxy-2-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[3-(3-aminophenyl)-6-butylimino-4-chloro-1-hydroxypyridin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[3-(3-aminophenyl)-6-butylimino-4-chloro-1-hydroxy-2-pyridyl]acetamide Formula: C25H29ClN6O2 MolecularWeight: 480.98976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN6O2/c1-2-3-11-30-22-13-20(26)24(18-5-4-6-19(27)12-18)21(32(22)34)14-23(33)31-15-16-7-9-17(10-8-16)25(28)29/h4-10,12-13,34H,2-3,11,14-15,27H2,1H3,(H3,28,29)(H,31,33)