N-(2-azanyl-2-oxidanylidene-ethyl)-2,6-bis(3-carbamimidoylphenoxy)pyridine-3-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-2,6-bis(3-carbamimidoylphenoxy)pyridine-3-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-2,6-bis(3-carbamimidoylphenoxy)pyridine-3-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-2,6-bis(3-carbamimidoylphenoxy)-3-pyridinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-2,6-bis(3-carbamimidoylphenoxy)pyridine-3-carboxamide Traditional Name: 2,6-bis(3-amidinophenoxy)-N-(2-amino-2-keto-ethyl)nicotinamide Formula: C22H21N7O4 MolecularWeight: 447.44664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=NC(=C(C=C2)C(=O)NCC(=O)N)OC3=CC=CC(=C3)C(=N)N)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)OC2=NC(=C(C=C2)C(=O)NCC(=O)N)OC3=CC=CC(=C3)C(=N)N)C(=N)N

InChI

InChI=1S/C22H21N7O4/c23-17(30)11-28-21(31)16-7-8-18(32-14-5-1-3-12(9-14)19(24)25)29-22(16)33-15-6-2-4-13(10-15)20(26)27/h1-10H,11H2,(H2,23,30)(H3,24,25)(H3,26,27)(H,28,31)