4,6-dimethyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]pyridine-3-carboxylic acid

Systemtic Name: 4,6-dimethyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]pyridine-3-carboxylic acid Openeye Name: 4,6-dimethyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]pyridine-3-carboxylic acid CAS Name: 4,6-dimethyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-3-pyridinecarboxylic acid IUPAC Name: 4,6-dimethyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]pyridine-3-carboxylic acid Traditional Name: 4,6-dimethyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]nicotinic acid Formula: C15H20N4O2S MolecularWeight: 320.4099

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)O)NCCSCC2=C(NC=N2)C)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)O)NCCSCC2=C(NC=N2)C)C

InChI

InChI=1S/C15H20N4O2S/c1-9-6-10(2)19-14(13(9)15(20)21)16-4-5-22-7-12-11(3)17-8-18-12/h6,8H,4-5,7H2,1-3H3,(H,16,19)(H,17,18)(H,20,21)