[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(3,5-dimethylphenoxy)ethanoate

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(3,5-dimethylphenoxy)ethanoate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(3,5-dimethylphenoxy)acetate CAS Name: 2-(3,5-dimethylphenoxy)acetic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 2-(3,5-dimethylphenoxy)acetate Traditional Name: 2-(3,5-dimethylphenoxy)acetic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C27H25N3O3S MolecularWeight: 471.5707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)OC2=CC=CC(=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)SC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)OC2=CC=CC(=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)SC)C

InChI

InChI=1S/C27H25N3O3S/c1-18-12-19(2)14-23(13-18)32-17-26(31)33-22-11-7-10-21(15-22)28-25-16-24(29-27(30-25)34-3)20-8-5-4-6-9-20/h4-16H,17H2,1-3H3,(H,28,29,30)