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

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(2,3,5-trimethylphenoxy)ethanoate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(2,3,5-trimethylphenoxy)acetate CAS Name: 2-(2,3,5-trimethylphenoxy)acetic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 2-(2,3,5-trimethylphenoxy)acetate Traditional Name: 2-(2,3,5-trimethylphenoxy)acetic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C28H27N3O3S MolecularWeight: 485.59728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O3S/c1-18-13-19(2)20(3)25(14-18)33-17-27(32)34-23-12-8-11-22(15-23)29-26-16-24(30-28(31-26)35-4)21-9-6-5-7-10-21/h5-16H,17H2,1-4H3,(H,29,30,31)