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

Systemtic Name: [4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] pyridine-4-carboxylate Openeye Name: [4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C23H18N4O2S MolecularWeight: 414.47962

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)OC(=O)C3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)OC(=O)C3=CC=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H18N4O2S/c1-30-23-26-20(16-5-3-2-4-6-16)15-21(27-23)25-18-7-9-19(10-8-18)29-22(28)17-11-13-24-14-12-17/h2-15H,1H3,(H,25,26,27)