2-cyano-N-[4-[[5-fluoranyl-2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: 2-cyano-N-[4-[[5-fluoranyl-2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: 2-cyano-N-[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: 2-cyano-N-[4-[[5-fluoro-2-(3-sulfamoylanilino)-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: 2-cyano-N-[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: 2-cyano-N-[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]acetamide Formula: C19H16FN7O3S MolecularWeight: 441.438843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)NC(=O)CC#N)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)NC(=O)CC#N)F

InChI

InChI=1S/C19H16FN7O3S/c20-16-11-23-19(26-14-2-1-3-15(10-14)31(22,29)30)27-18(16)25-13-6-4-12(5-7-13)24-17(28)8-9-21/h1-7,10-11H,8H2,(H,24,28)(H2,22,29,30)(H2,23,25,26,27)