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

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 1,3-bis(oxidanylidene)-2-phenyl-isoindole-5-carboxylate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 1,3-dioxo-2-phenyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenyl-5-isoindolecarboxylic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 1,3-dioxo-2-phenylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenyl-isoindoline-5-carboxylic acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C26H18N4O4 MolecularWeight: 450.44552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H18N4O4/c1-16-13-23(28-15-27-16)29-18-8-10-20(11-9-18)34-26(33)17-7-12-21-22(14-17)25(32)30(24(21)31)19-5-3-2-4-6-19/h2-15H,1H3,(H,27,28,29)