2,6-dimethyl-4-[(5-methyl-1-oxidanylidene-2H-isoquinolin-6-yl)amino]pyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-4-[(5-methyl-1-oxidanylidene-2H-isoquinolin-6-yl)amino]pyridine-3-carboxylic acid Openeye Name: 2,6-dimethyl-4-[(5-methyl-1-oxo-2H-isoquinolin-6-yl)amino]pyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-4-[(5-methyl-1-oxo-2H-isoquinolin-6-yl)amino]-3-pyridinecarboxylic acid IUPAC Name: 2,6-dimethyl-4-[(5-methyl-1-oxo-2H-isoquinolin-6-yl)amino]pyridine-3-carboxylic acid Traditional Name: 4-[(1-keto-5-methyl-2H-isoquinolin-6-yl)amino]-2,6-dimethyl-nicotinic acid Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)NC2=C(C3=C(C=C2)C(=O)NC=C3)C)C(=O)O)C

Isomeric SMILES

CC1=NC(=C(C(=C1)NC2=C(C3=C(C=C2)C(=O)NC=C3)C)C(=O)O)C

InChI

InChI=1S/C18H17N3O3/c1-9-8-15(16(18(23)24)11(3)20-9)21-14-5-4-13-12(10(14)2)6-7-19-17(13)22/h4-8H,1-3H3,(H,19,22)(H,20,21)(H,23,24)