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

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 1,3-bis(oxidanylidene)-2-propan-2-yl-isoindole-5-carboxylate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-isopropyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-propan-2-yl-5-isoindolecarboxylic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 1,3-dioxo-2-propan-2-ylisoindole-5-carboxylate Traditional Name: 2-isopropyl-1,3-diketo-isoindoline-5-carboxylic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C28H22N4O4 MolecularWeight: 478.49868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=CC=C(C=C3)NC4=NC=NC(=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=CC=C(C=C3)NC4=NC=NC(=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H22N4O4/c1-17(2)32-26(33)22-13-8-19(14-23(22)27(32)34)28(35)36-21-11-9-20(10-12-21)31-25-15-24(29-16-30-25)18-6-4-3-5-7-18/h3-17H,1-2H3,(H,29,30,31)