methyl 4-[(5-bromanylpyrimidin-2-yl)amino]benzoate

Systemtic Name: methyl 4-[(5-bromanylpyrimidin-2-yl)amino]benzoate Openeye Name: methyl 4-[(5-bromopyrimidin-2-yl)amino]benzoate CAS Name: 4-[(5-bromo-2-pyrimidinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-bromopyrimidin-2-yl)amino]benzoate Traditional Name: 4-[(5-bromopyrimidin-2-yl)amino]benzoic acid methyl ester Formula: C12H10BrN3O2 MolecularWeight: 308.1307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NC=C(C=N2)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NC=C(C=N2)Br

InChI

InChI=1S/C12H10BrN3O2/c1-18-11(17)8-2-4-10(5-3-8)16-12-14-6-9(13)7-15-12/h2-7H,1H3,(H,14,15,16)