[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 1,3-bis(oxidanylidene)-2-phenyl-isoindole-5-carboxylate

Systemtic Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 1,3-bis(oxidanylidene)-2-phenyl-isoindole-5-carboxylate Openeye Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 1,3-dioxo-2-phenyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenyl-5-isoindolecarboxylic acid [3-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 1,3-dioxo-2-phenylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenyl-isoindoline-5-carboxylic acid [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] ester Formula: C27H20N4O4 MolecularWeight: 464.4721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC(=CC=C2)OC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC(=CC=C2)OC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=CC=C5)C

InChI

InChI=1S/C27H20N4O4/c1-16-13-17(2)29-27(28-16)30-19-7-6-10-21(15-19)35-26(34)18-11-12-22-23(14-18)25(33)31(24(22)32)20-8-4-3-5-9-20/h3-15H,1-2H3,(H,28,29,30)