4-[(1-chloranyl-5-methyl-isoquinolin-6-yl)amino]pyridine-3-carboxylic acid

Systemtic Name: 4-[(1-chloranyl-5-methyl-isoquinolin-6-yl)amino]pyridine-3-carboxylic acid Openeye Name: 4-[(1-chloro-5-methyl-6-isoquinolyl)amino]pyridine-3-carboxylic acid CAS Name: 4-[(1-chloro-5-methyl-6-isoquinolinyl)amino]-3-pyridinecarboxylic acid IUPAC Name: 4-[(1-chloro-5-methylisoquinolin-6-yl)amino]pyridine-3-carboxylic acid Traditional Name: 4-[(1-chloro-5-methyl-6-isoquinolyl)amino]nicotinic acid Formula: C16H12ClN3O2 MolecularWeight: 313.73838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C=CN=C2Cl)NC3=C(C=NC=C3)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1C=CN=C2Cl)NC3=C(C=NC=C3)C(=O)O

InChI

InChI=1S/C16H12ClN3O2/c1-9-10-4-7-19-15(17)11(10)2-3-13(9)20-14-5-6-18-8-12(14)16(21)22/h2-8H,1H3,(H,18,20)(H,21,22)