2-[2-(3-aminophenyl)-5-(cyclopropylamino)-1-methyl-4-oxidanylidene-pyridin-3-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide

Systemtic Name: 2-[2-(3-aminophenyl)-5-(cyclopropylamino)-1-methyl-4-oxidanylidene-pyridin-3-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[2-(3-aminophenyl)-5-(cyclopropylamino)-1-methyl-4-oxo-3-pyridyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[2-(3-aminophenyl)-5-(cyclopropylamino)-1-methyl-4-oxo-3-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[2-(3-aminophenyl)-5-(cyclopropylamino)-1-methyl-4-oxopyridin-3-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[2-(3-aminophenyl)-5-(cyclopropylamino)-4-keto-1-methyl-3-pyridyl]acetamide Formula: C25H28N6O2 MolecularWeight: 444.52882

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C(=C1C2=CC(=CC=C2)N)CC(=O)NCC3=CC=C(C=C3)C(=N)N)NC4CC4

Isomeric SMILES

CN1C=C(C(=O)C(=C1C2=CC(=CC=C2)N)CC(=O)NCC3=CC=C(C=C3)C(=N)N)NC4CC4

InChI

InChI=1S/C25H28N6O2/c1-31-14-21(30-19-9-10-19)24(33)20(23(31)17-3-2-4-18(26)11-17)12-22(32)29-13-15-5-7-16(8-6-15)25(27)28/h2-8,11,14,19,30H,9-10,12-13,26H2,1H3,(H3,27,28)(H,29,32)