4-[6-(4-carbamimidoylphenyl)pyridin-3-yl]benzenecarboximidamide; ethanoic acid

Systemtic Name: 4-[6-(4-carbamimidoylphenyl)pyridin-3-yl]benzenecarboximidamide; ethanoic acid Openeye Name: acetic acid; 4-[6-(4-carbamimidoylphenyl)-3-pyridyl]benzamidine CAS Name: acetic acid; 4-[6-(4-carbamimidoylphenyl)-3-pyridinyl]benzenecarboximidamide IUPAC Name: acetic acid; 4-[6-(4-carbamimidoylphenyl)pyridin-3-yl]benzenecarboximidamide Traditional Name: acetic acid; 4-[6-(4-amidinophenyl)-3-pyridyl]benzamidine Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC(=CC=C1C2=CN=C(C=C2)C3=CC=C(C=C3)C(=N)N)C(=N)N

Isomeric SMILES

CC(=O)O.C1=CC(=CC=C1C2=CN=C(C=C2)C3=CC=C(C=C3)C(=N)N)C(=N)N

InChI

InChI=1S/C19H17N5.C2H4O2/c20-18(21)14-5-1-12(2-6-14)16-9-10-17(24-11-16)13-3-7-15(8-4-13)19(22)23;1-2(3)4/h1-11H,(H3,20,21)(H3,22,23);1H3,(H,3,4)