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

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(4-fluorophenyl)ethanoate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(4-fluorophenyl)acetate CAS Name: 2-(4-fluorophenyl)acetic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 2-(4-fluorophenyl)acetate Traditional Name: 2-(4-fluorophenyl)acetic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C25H20FN3O2S MolecularWeight: 445.508603

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)CC3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)CC3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C25H20FN3O2S/c1-32-25-28-22(18-6-3-2-4-7-18)16-23(29-25)27-20-8-5-9-21(15-20)31-24(30)14-17-10-12-19(26)13-11-17/h2-13,15-16H,14H2,1H3,(H,27,28,29)