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

Systemtic Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 1,3-bis(oxidanylidene)-2-phenyl-isoindole-5-carboxylate Openeye Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 1,3-dioxo-2-phenyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenyl-5-isoindolecarboxylic acid [3-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 1,3-dioxo-2-phenylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenyl-isoindoline-5-carboxylic acid [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C31H20N4O4 MolecularWeight: 512.5149

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)OC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)OC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=CC=C6

InChI

InChI=1S/C31H20N4O4/c36-29-25-15-14-21(16-26(25)30(37)35(29)23-11-5-2-6-12-23)31(38)39-24-13-7-10-22(17-24)34-28-18-27(32-19-33-28)20-8-3-1-4-9-20/h1-19H,(H,32,33,34)