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

Systemtic Name: 2-cyano-N-[4-[[5-fluoranyl-2-[(4-methyl-3-sulfamoyl-phenyl)amino]pyrimidin-4-yl]amino]-2-methyl-phenyl]ethanamide Openeye Name: 2-cyano-N-[4-[[5-fluoro-2-(4-methyl-3-sulfamoyl-anilino)pyrimidin-4-yl]amino]-2-methyl-phenyl]acetamide CAS Name: 2-cyano-N-[4-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)-4-pyrimidinyl]amino]-2-methylphenyl]acetamide IUPAC Name: 2-cyano-N-[4-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]-2-methylphenyl]acetamide Traditional Name: 2-cyano-N-[4-[[5-fluoro-2-(4-methyl-3-sulfamoyl-anilino)pyrimidin-4-yl]amino]-2-methyl-phenyl]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)NC(=O)CC#N)C)F)S(=O)(=O)N

Isomeric SMILES

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

InChI

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