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

Systemtic Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid [3-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid [3-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C24H22N4O4 MolecularWeight: 430.45588

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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=NC(=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O4/c1-3-4-10-28-22(29)19-9-8-16(12-20(19)23(28)30)24(31)32-18-7-5-6-17(13-18)27-21-11-15(2)25-14-26-21/h5-9,11-14H,3-4,10H2,1-2H3,(H,25,26,27)