4-[(Z)-N-[[2-[(2-fluoranyl-4-methoxy-phenyl)amino]-6-[(2Z)-2-[1-[4-(methylsulfamoyl)phenyl]ethylidene]hydrazinyl]pyrimidin-4-yl]amino]-C-methyl-carbonimidoyl]-N-methyl-benzenesulfonamide

Systemtic Name: 4-[(Z)-N-[[2-[(2-fluoranyl-4-methoxy-phenyl)amino]-6-[(2Z)-2-[1-[4-(methylsulfamoyl)phenyl]ethylidene]hydrazinyl]pyrimidin-4-yl]amino]-C-methyl-carbonimidoyl]-N-methyl-benzenesulfonamide Openeye Name: 4-[(Z)-N-[[2-(2-fluoro-4-methoxy-anilino)-6-[(2Z)-2-[1-[4-(methylsulfamoyl)phenyl]ethylidene]hydrazino]pyrimidin-4-yl]amino]-C-methyl-carbonimidoyl]-N-methyl-benzenesulfonamide CAS Name: 4-[(1Z)-1-[[2-(2-fluoro-4-methoxyanilino)-6-[(2Z)-2-[1-[4-(methylsulfamoyl)phenyl]ethylidene]hydrazinyl]-4-pyrimidinyl]hydrazinylidene]ethyl]-N-methylbenzenesulfonamide IUPAC Name: 4-[(Z)-N-[[2-(2-fluoro-4-methoxyanilino)-6-[(2Z)-2-[1-[4-(methylsulfamoyl)phenyl]ethylidene]hydrazinyl]pyrimidin-4-yl]amino]-C-methylcarbonimidoyl]-N-methylbenzenesulfonamide Traditional Name: 4-[(Z)-N-[[2-(2-fluoro-4-methoxy-anilino)-6-[(N'Z)-N'-[1-[4-(methylsulfamoyl)phenyl]ethylidene]hydrazino]pyrimidin-4-yl]amino]-C-methyl-carbonimidoyl]-N-methyl-benzenesulfonamide Formula: C29H32FN9O5S2 MolecularWeight: 669.750083

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=CC(=NC(=N1)NC2=C(C=C(C=C2)OC)F)NN=C(C)C3=CC=C(C=C3)S(=O)(=O)NC)C4=CC=C(C=C4)S(=O)(=O)NC

Isomeric SMILES

C/C(=N/NC1=CC(=NC(=N1)NC2=C(C=C(C=C2)OC)F)N/N=C(/C)\C3=CC=C(C=C3)S(=O)(=O)NC)/C4=CC=C(C=C4)S(=O)(=O)NC

InChI

InChI=1S/C29H32FN9O5S2/c1-18(20-6-11-23(12-7-20)45(40,41)31-3)36-38-27-17-28(35-29(34-27)33-26-15-10-22(44-5)16-25(26)30)39-37-19(2)21-8-13-24(14-9-21)46(42,43)32-4/h6-17,31-32H,1-5H3,(H3,33,34,35,38,39)/b36-18-,37-19-