[4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(4-bromanylphenoxy)propanoate

Systemtic Name: [4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(4-bromanylphenoxy)propanoate Openeye Name: [4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(4-bromophenoxy)propanoate CAS Name: 2-(4-bromophenoxy)propanoic acid [4-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 2-(4-bromophenoxy)propanoate Traditional Name: 2-(4-bromophenoxy)propionic acid [4-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C26H22BrN3O3S MolecularWeight: 536.44018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=C(C=C1)NC2=NC(=NC(=C2)C3=CC=CC=C3)SC)OC4=CC=C(C=C4)Br

Isomeric SMILES

CC(C(=O)OC1=CC=C(C=C1)NC2=NC(=NC(=C2)C3=CC=CC=C3)SC)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C26H22BrN3O3S/c1-17(32-21-12-8-19(27)9-13-21)25(31)33-22-14-10-20(11-15-22)28-24-16-23(29-26(30-24)34-2)18-6-4-3-5-7-18/h3-17H,1-2H3,(H,28,29,30)