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

Systemtic Name: 2-cyano-N-[4-[[5-fluoranyl-2-[(4-methyl-3-sulfamoyl-phenyl)amino]pyrimidin-4-yl]amino]phenyl]-N-methyl-ethanamide Openeye Name: 2-cyano-N-[4-[[5-fluoro-2-(4-methyl-3-sulfamoyl-anilino)pyrimidin-4-yl]amino]phenyl]-N-methyl-acetamide CAS Name: 2-cyano-N-[4-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)-4-pyrimidinyl]amino]phenyl]-N-methylacetamide IUPAC Name: 2-cyano-N-[4-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]-N-methylacetamide Traditional Name: 2-cyano-N-[4-[[5-fluoro-2-(4-methyl-3-sulfamoyl-anilino)pyrimidin-4-yl]amino]phenyl]-N-methyl-acetamide Formula: C21H20FN7O3S MolecularWeight: 469.492003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)N(C)C(=O)CC#N)F)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)N(C)C(=O)CC#N)F)S(=O)(=O)N

InChI

InChI=1S/C21H20FN7O3S/c1-13-3-4-15(11-18(13)33(24,31)32)27-21-25-12-17(22)20(28-21)26-14-5-7-16(8-6-14)29(2)19(30)9-10-23/h3-8,11-12H,9H2,1-2H3,(H2,24,31,32)(H2,25,26,27,28)