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

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 1,3-dioxo-2-phenethyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenethyl-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-phenethylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenethyl-isoindoline-5-carboxylic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C34H26N4O4S MolecularWeight: 586.65964

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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)CCC5=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)CCC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H26N4O4S/c1-43-34-36-29(23-11-6-3-7-12-23)21-30(37-34)35-25-13-8-14-26(20-25)42-33(41)24-15-16-27-28(19-24)32(40)38(31(27)39)18-17-22-9-4-2-5-10-22/h2-16,19-21H,17-18H2,1H3,(H,35,36,37)