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

Systemtic Name: 4-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]pyridine-3-carboxylic acid Openeye Name: 4-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]pyridine-3-carboxylic acid CAS Name: 4-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-3-pyridinecarboxylic acid IUPAC Name: 4-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]pyridine-3-carboxylic acid Traditional Name: 4-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]nicotinic acid Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1)NCCSCC2=C(NC=N2)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NC=C1)NCCSCC2=C(NC=N2)C)C(=O)O

InChI

InChI=1S/C14H18N4O2S/c1-9-3-4-15-13(12(9)14(19)20)16-5-6-21-7-11-10(2)17-8-18-11/h3-4,8H,5-7H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)