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

Systemtic Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 1,3-bis(oxidanylidene)-2-propan-2-yl-isoindole-5-carboxylate Openeye Name: [3-[(6-methyl-2-methylsulfanyl-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-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(6-methyl-2-methylsulfanylpyrimidin-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-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C24H22N4O4S MolecularWeight: 462.52088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O4S/c1-13(2)28-21(29)18-9-8-15(11-19(18)22(28)30)23(31)32-17-7-5-6-16(12-17)26-20-10-14(3)25-24(27-20)33-4/h5-13H,1-4H3,(H,25,26,27)