[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] pyridine-4-carboxylate

Systemtic Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] pyridine-4-carboxylate Openeye Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] ester Formula: C18H16N4O2 MolecularWeight: 320.34524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O2/c1-12-11-13(2)21-18(20-12)22-15-3-5-16(6-4-15)24-17(23)14-7-9-19-10-8-14/h3-11H,1-2H3,(H,20,21,22)