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

Systemtic Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate Openeye Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 1,3-dioxo-2-phenethyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenethyl-5-isoindolecarboxylic acid [3-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 1,3-dioxo-2-phenethylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenethyl-isoindoline-5-carboxylic acid [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C33H24N4O4 MolecularWeight: 540.56806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OC4=CC=CC(=C4)NC5=NC=NC(=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OC4=CC=CC(=C4)NC5=NC=NC(=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H24N4O4/c38-31-27-15-14-24(18-28(27)32(39)37(31)17-16-22-8-3-1-4-9-22)33(40)41-26-13-7-12-25(19-26)36-30-20-29(34-21-35-30)23-10-5-2-6-11-23/h1-15,18-21H,16-17H2,(H,34,35,36)