[4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-(4-methylphenoxy)ethanoate

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-(4-methylphenoxy)ethanoate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-(4-methylphenoxy)acetate CAS Name: 2-(4-methylphenoxy)acetic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 2-(4-methylphenoxy)acetate Traditional Name: 2-(4-methylphenoxy)acetic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-14-4-8-17(9-5-14)26-13-20(25)27-18-10-6-16(7-11-18)23-19-12-15(2)22-21(24-19)28-3/h4-12H,13H2,1-3H3,(H,22,23,24)