2-[3-(3-aminophenyl)-6-(cyclobutylamino)pyridin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide

Systemtic Name: 2-[3-(3-aminophenyl)-6-(cyclobutylamino)pyridin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[3-(3-aminophenyl)-6-(cyclobutylamino)-2-pyridyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[3-(3-aminophenyl)-6-(cyclobutylamino)-2-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[3-(3-aminophenyl)-6-(cyclobutylamino)pyridin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[3-(3-aminophenyl)-6-(cyclobutylamino)-2-pyridyl]acetamide Formula: C25H28N6O MolecularWeight: 428.52942

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC2=NC(=C(C=C2)C3=CC(=CC=C3)N)CC(=O)NCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CC(C1)NC2=NC(=C(C=C2)C3=CC(=CC=C3)N)CC(=O)NCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H28N6O/c26-19-4-1-3-18(13-19)21-11-12-23(30-20-5-2-6-20)31-22(21)14-24(32)29-15-16-7-9-17(10-8-16)25(27)28/h1,3-4,7-13,20H,2,5-6,14-15,26H2,(H3,27,28)(H,29,32)(H,30,31)