5-bromanyl-N4-[2-(1H-imidazol-5-yl)ethyl]-N2-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine

Systemtic Name: 5-bromanyl-N4-[2-(1H-imidazol-5-yl)ethyl]-N2-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine Openeye Name: 5-bromo-N4-[2-(1H-imidazol-5-yl)ethyl]-N2-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine CAS Name: 5-bromo-N4-[2-(1H-imidazol-5-yl)ethyl]-N2-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine IUPAC Name: 5-bromo-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine Traditional Name: [5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]-(3-mesylphenyl)amine Formula: C16H17BrN6O2S MolecularWeight: 437.31418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC2=NC=C(C(=N2)NCCC3=CN=CN3)Br

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC2=NC=C(C(=N2)NCCC3=CN=CN3)Br

InChI

InChI=1S/C16H17BrN6O2S/c1-26(24,25)13-4-2-3-11(7-13)22-16-20-9-14(17)15(23-16)19-6-5-12-8-18-10-21-12/h2-4,7-10H,5-6H2,1H3,(H,18,21)(H2,19,20,22,23)