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

Systemtic Name: 2-cyano-N-[4-[[5-fluoranyl-2-[(4-methyl-3-sulfamoyl-phenyl)amino]pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: 2-cyano-N-[4-[[5-fluoro-2-(4-methyl-3-sulfamoyl-anilino)pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: 2-cyano-N-[4-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: 2-cyano-N-[4-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: 2-cyano-N-[4-[[5-fluoro-2-(4-methyl-3-sulfamoyl-anilino)pyrimidin-4-yl]amino]phenyl]acetamide Formula: C20H18FN7O3S MolecularWeight: 455.465423

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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)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)F)S(=O)(=O)N

InChI

InChI=1S/C20H18FN7O3S/c1-12-2-3-15(10-17(12)32(23,30)31)27-20-24-11-16(21)19(28-20)26-14-6-4-13(5-7-14)25-18(29)8-9-22/h2-7,10-11H,8H2,1H3,(H,25,29)(H2,23,30,31)(H2,24,26,27,28)