methyl 5-(2-methylsulfanylpyridin-3-yl)carbonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate

Systemtic Name: methyl 5-(2-methylsulfanylpyridin-3-yl)carbonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate Openeye Name: methyl 5-(2-methylsulfanylpyridine-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate CAS Name: 5-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-(2-methylsulfanylpyridine-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate Traditional Name: 5-[2-(methylthio)nicotinoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid methyl ester Formula: C15H16N4O3S MolecularWeight: 332.37754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(CN1C(=O)C3=C(N=CC=C3)SC)NC=N2

Isomeric SMILES

COC(=O)C1CC2=C(CN1C(=O)C3=C(N=CC=C3)SC)NC=N2

InChI

InChI=1S/C15H16N4O3S/c1-22-15(21)12-6-10-11(18-8-17-10)7-19(12)14(20)9-4-3-5-16-13(9)23-2/h3-5,8,12H,6-7H2,1-2H3,(H,17,18)