[3-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-(4-bromanylphenoxy)propanoate

Systemtic Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-(4-bromanylphenoxy)propanoate Openeye Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-(4-bromophenoxy)propanoate CAS Name: 2-(4-bromophenoxy)propanoic acid [3-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-(4-bromophenoxy)propanoate Traditional Name: 2-(4-bromophenoxy)propionic acid [3-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)NC2=CC(=CC=C2)OC(=O)C(C)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=NC=N1)NC2=CC(=CC=C2)OC(=O)C(C)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H18BrN3O3/c1-13-10-19(23-12-22-13)24-16-4-3-5-18(11-16)27-20(25)14(2)26-17-8-6-15(21)7-9-17/h3-12,14H,1-2H3,(H,22,23,24)