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

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

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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)CCC5=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)CCC5=CC=CC=C5

InChI

InChI=1S/C28H22N4O4/c1-18-15-25(30-17-29-18)31-21-8-10-22(11-9-21)36-28(35)20-7-12-23-24(16-20)27(34)32(26(23)33)14-13-19-5-3-2-4-6-19/h2-12,15-17H,13-14H2,1H3,(H,29,30,31)