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

Systemtic Name: 6-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]pyridine-3-carboxylic acid Openeye Name: 6-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]pyridine-3-carboxylic acid CAS Name: 6-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]pyridine-3-carboxylic acid Traditional Name: 6-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]nicotinic acid Formula: C13H16N4O2S MolecularWeight: 292.35674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=NC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H16N4O2S/c1-9-11(17-8-16-9)7-20-5-4-14-12-3-2-10(6-15-12)13(18)19/h2-3,6,8H,4-5,7H2,1H3,(H,14,15)(H,16,17)(H,18,19)