[4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-acetamidobenzoate

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-acetamidobenzoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C25H20N4O3 MolecularWeight: 424.4513

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)NC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)NC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H20N4O3/c1-17(30)28-21-9-5-8-19(14-21)25(31)32-22-12-10-20(11-13-22)29-24-15-23(26-16-27-24)18-6-3-2-4-7-18/h2-16H,1H3,(H,28,30)(H,26,27,29)