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

Systemtic Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 2-cyclohexyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 2-cyclohexyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-cyclohexyl-1,3-dioxo-5-isoindolecarboxylic acid [4-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-cyclohexyl-1,3-diketo-isoindoline-5-carboxylic acid [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] ester Formula: C27H26N4O4 MolecularWeight: 470.51974

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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)C5CCCCC5)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)OC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5CCCCC5)C

InChI

InChI=1S/C27H26N4O4/c1-16-14-17(2)29-27(28-16)30-19-9-11-21(12-10-19)35-26(34)18-8-13-22-23(15-18)25(33)31(24(22)32)20-6-4-3-5-7-20/h8-15,20H,3-7H2,1-2H3,(H,28,29,30)