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

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] pyridine-4-carboxylate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[[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=C(C=C2)OC(=O)C3=CC=NC=C3

Isomeric SMILES

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

InChI

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