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

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-(3,5-dimethylphenoxy)ethanoate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-(3,5-dimethylphenoxy)acetate CAS Name: 2-(3,5-dimethylphenoxy)acetic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 2-(3,5-dimethylphenoxy)acetate Traditional Name: 2-(3,5-dimethylphenoxy)acetic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-14-9-15(2)11-19(10-14)27-13-21(26)28-18-7-5-17(6-8-18)24-20-12-16(3)23-22(25-20)29-4/h5-12H,13H2,1-4H3,(H,23,24,25)