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

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 1,3-bis(oxidanylidene)-2-propan-2-yl-isoindole-5-carboxylate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-isopropyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-propan-2-yl-5-isoindolecarboxylic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 1,3-dioxo-2-propan-2-ylisoindole-5-carboxylate Traditional Name: 2-isopropyl-1,3-diketo-isoindoline-5-carboxylic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C29H24N4O4S MolecularWeight: 524.59026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=CC=CC(=C3)NC4=NC(=NC(=C4)C5=CC=CC=C5)SC

Isomeric SMILES

CC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=CC=CC(=C3)NC4=NC(=NC(=C4)C5=CC=CC=C5)SC

InChI

InChI=1S/C29H24N4O4S/c1-17(2)33-26(34)22-13-12-19(14-23(22)27(33)35)28(36)37-21-11-7-10-20(15-21)30-25-16-24(31-29(32-25)38-3)18-8-5-4-6-9-18/h4-17H,1-3H3,(H,30,31,32)