3-[2-[[(4-carbamimidoylphenyl)amino]methyl]-6-methyl-pyridin-3-yl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid

Systemtic Name: 3-[2-[[(4-carbamimidoylphenyl)amino]methyl]-6-methyl-pyridin-3-yl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid Openeye Name: 3-[2-[(4-carbamimidoylanilino)methyl]-6-methyl-3-pyridyl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid CAS Name: 3-[2-[(4-carbamimidoylanilino)methyl]-6-methyl-3-pyridinyl]-6-(methylcarbamoyl)-2-pyridinecarboxylic acid IUPAC Name: 3-[2-[(4-carbamimidoylanilino)methyl]-6-methylpyridin-3-yl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid Traditional Name: 3-[2-[(4-amidinoanilino)methyl]-6-methyl-3-pyridyl]-6-(methylcarbamoyl)picolinic acid Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C2=C(N=C(C=C2)C(=O)NC)C(=O)O)CNC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=NC(=C(C=C1)C2=C(N=C(C=C2)C(=O)NC)C(=O)O)CNC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H22N6O3/c1-12-3-8-15(16-9-10-17(21(29)25-2)28-19(16)22(30)31)18(27-12)11-26-14-6-4-13(5-7-14)20(23)24/h3-10,26H,11H2,1-2H3,(H3,23,24)(H,25,29)(H,30,31)