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

Systemtic Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 4-methylbenzoate Openeye Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] ester Formula: C20H19N3O2 MolecularWeight: 333.38376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)NC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)NC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C20H19N3O2/c1-13-4-6-16(7-5-13)19(24)25-18-10-8-17(9-11-18)23-20-21-14(2)12-15(3)22-20/h4-12H,1-3H3,(H,21,22,23)