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

Systemtic Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid [4-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C30H26N4O4 MolecularWeight: 506.55184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=CC=C(C=C3)NC4=NC(=NC(=C4)C5=CC=CC=C5)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=CC=C(C=C3)NC4=NC(=NC(=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C30H26N4O4/c1-3-4-16-34-28(35)24-15-10-21(17-25(24)29(34)36)30(37)38-23-13-11-22(12-14-23)33-27-18-26(31-19(2)32-27)20-8-6-5-7-9-20/h5-15,17-18H,3-4,16H2,1-2H3,(H,31,32,33)