[3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 3-methylbenzoate

Systemtic Name: [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 3-methylbenzoate Openeye Name: [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [3-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C25H21N3O2 MolecularWeight: 395.45314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC=CC(=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC=CC(=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H21N3O2/c1-17-8-6-11-20(14-17)25(29)30-22-13-7-12-21(15-22)28-24-16-23(26-18(2)27-24)19-9-4-3-5-10-19/h3-16H,1-2H3,(H,26,27,28)