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

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 1,3-bis(oxidanylidene)-2-phenyl-isoindole-5-carboxylate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 1,3-dioxo-2-phenyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenyl-5-isoindolecarboxylic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 1,3-dioxo-2-phenylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenyl-isoindoline-5-carboxylic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C27H20N4O4S MolecularWeight: 496.5371

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)OC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)OC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=CC=C5

InChI

InChI=1S/C27H20N4O4S/c1-16-14-23(30-27(28-16)36-2)29-18-9-11-20(12-10-18)35-26(34)17-8-13-21-22(15-17)25(33)31(24(21)32)19-6-4-3-5-7-19/h3-15H,1-2H3,(H,28,29,30)