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

Systemtic Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid [3-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] ester Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=CC=CC(=C3)NC4=NC(=CC(=N4)C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=CC=CC(=C3)NC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C25H24N4O4/c1-4-5-11-29-22(30)20-10-9-17(13-21(20)23(29)31)24(32)33-19-8-6-7-18(14-19)28-25-26-15(2)12-16(3)27-25/h6-10,12-14H,4-5,11H2,1-3H3,(H,26,27,28)