[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 3-phenoxypropanoate

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 3-phenoxypropanoate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 3-phenoxypropanoate CAS Name: 3-phenoxypropanoic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 3-phenoxypropanoate Traditional Name: 3-phenoxypropionic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)CCOC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)CCOC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H23N3O3S/c1-33-26-28-23(19-9-4-2-5-10-19)18-24(29-26)27-20-11-8-14-22(17-20)32-25(30)15-16-31-21-12-6-3-7-13-21/h2-14,17-18H,15-16H2,1H3,(H,27,28,29)