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

Systemtic Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate Openeye Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 1,3-dioxo-2-phenethyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenethyl-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-phenethylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenethyl-isoindoline-5-carboxylic acid [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] ester Formula: C29H24N4O4 MolecularWeight: 492.52526

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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)CCC5=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)CCC5=CC=CC=C5)C

InChI

InChI=1S/C29H24N4O4/c1-18-15-19(2)31-29(30-18)32-22-9-6-10-23(17-22)37-28(36)21-11-12-24-25(16-21)27(35)33(26(24)34)14-13-20-7-4-3-5-8-20/h3-12,15-17H,13-14H2,1-2H3,(H,30,31,32)