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

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 1,3-bis(oxidanylidene)-2-phenyl-isoindole-5-carboxylate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 1,3-dioxo-2-phenyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenyl-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-phenylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenyl-isoindoline-5-carboxylic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C32H22N4O4S MolecularWeight: 558.60648

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H22N4O4S/c1-41-32-34-27(20-9-4-2-5-10-20)19-28(35-32)33-22-11-8-14-24(18-22)40-31(39)21-15-16-25-26(17-21)30(38)36(29(25)37)23-12-6-3-7-13-23/h2-19H,1H3,(H,33,34,35)