[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 1-(4-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 1-(4-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 1-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C29H26N4O4S MolecularWeight: 526.60614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OC3=CC=CC(=C3)NC4=NC(=NC(=C4)C5=CC=CC=C5)SC

Isomeric SMILES

COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OC3=CC=CC(=C3)NC4=NC(=NC(=C4)C5=CC=CC=C5)SC

InChI

InChI=1S/C29H26N4O4S/c1-36-23-13-11-22(12-14-23)33-18-20(15-27(33)34)28(35)37-24-10-6-9-21(16-24)30-26-17-25(31-29(32-26)38-2)19-7-4-3-5-8-19/h3-14,16-17,20H,15,18H2,1-2H3,(H,30,31,32)