[3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] pyridine-3-carboxylate

Systemtic Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] pyridine-3-carboxylate Openeye Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [3-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [3-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC(=CC=C2)OC(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=CC(=CC=C2)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H16N4O2S/c1-12-9-16(22-18(20-12)25-2)21-14-6-3-7-15(10-14)24-17(23)13-5-4-8-19-11-13/h3-11H,1-2H3,(H,20,21,22)