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

Systemtic Name: 5-[[5-fluoranyl-2-[(4-methyl-3-sulfamoyl-phenyl)amino]pyrimidin-4-yl]amino]-2-methyl-benzenesulfonamide Openeye Name: 5-[[5-fluoro-2-(4-methyl-3-sulfamoyl-anilino)pyrimidin-4-yl]amino]-2-methyl-benzenesulfonamide CAS Name: 5-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)-4-pyrimidinyl]amino]-2-methylbenzenesulfonamide IUPAC Name: 5-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]-2-methylbenzenesulfonamide Traditional Name: 5-[[5-fluoro-2-(4-methyl-3-sulfamoyl-anilino)pyrimidin-4-yl]amino]-2-methyl-benzenesulfonamide Formula: C18H19FN6O4S2 MolecularWeight: 466.509663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC=C2F)NC3=CC(=C(C=C3)C)S(=O)(=O)N)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC=C2F)NC3=CC(=C(C=C3)C)S(=O)(=O)N)S(=O)(=O)N

InChI

InChI=1S/C18H19FN6O4S2/c1-10-3-5-12(7-15(10)30(20,26)27)23-17-14(19)9-22-18(25-17)24-13-6-4-11(2)16(8-13)31(21,28)29/h3-9H,1-2H3,(H2,20,26,27)(H2,21,28,29)(H2,22,23,24,25)