methyl 2-[(5-bromanyl-2-chloranyl-pyrimidin-4-yl)amino]benzoate

Systemtic Name: methyl 2-[(5-bromanyl-2-chloranyl-pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 2-[(5-bromo-2-chloro-pyrimidin-4-yl)amino]benzoate CAS Name: 2-[(5-bromo-2-chloro-4-pyrimidinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(5-bromo-2-chloropyrimidin-4-yl)amino]benzoate Traditional Name: 2-[(5-bromo-2-chloro-pyrimidin-4-yl)amino]benzoic acid methyl ester Formula: C12H9BrClN3O2 MolecularWeight: 342.57576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Br)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Br)Cl

InChI

InChI=1S/C12H9BrClN3O2/c1-19-11(18)7-4-2-3-5-9(7)16-10-8(13)6-15-12(14)17-10/h2-6H,1H3,(H,15,16,17)