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

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-phenoxyethanoate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)COC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)COC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H21N3O3S/c1-32-25-27-22(18-9-4-2-5-10-18)16-23(28-25)26-19-11-8-14-21(15-19)31-24(29)17-30-20-12-6-3-7-13-20/h2-16H,17H2,1H3,(H,26,27,28)