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

Systemtic Name: ethyl 4,6-dimethyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]pyridine-3-carboxylate Openeye Name: ethyl 4,6-dimethyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]pyridine-3-carboxylate CAS Name: 4,6-dimethyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4,6-dimethyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]pyridine-3-carboxylate Traditional Name: 4,6-dimethyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]nicotinic acid ethyl ester Formula: C17H24N4O2S MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C=C1C)C)NCCSCC2=C(NC=N2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C=C1C)C)NCCSCC2=C(NC=N2)C

InChI

InChI=1S/C17H24N4O2S/c1-5-23-17(22)15-11(2)8-12(3)21-16(15)18-6-7-24-9-14-13(4)19-10-20-14/h8,10H,5-7,9H2,1-4H3,(H,18,21)(H,19,20)