3-[[5-fluoranyl-4-[(4-methyl-2-oxidanylidene-1H-quinolin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[5-fluoranyl-4-[(4-methyl-2-oxidanylidene-1H-quinolin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[5-fluoro-4-[(4-methyl-2-oxo-1H-quinolin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[5-fluoro-4-[(4-methyl-2-oxo-1H-quinolin-6-yl)amino]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[5-fluoro-4-[(4-methyl-2-oxo-1H-quinolin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[5-fluoro-4-[(2-keto-4-methyl-1H-quinolin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C20H17FN6O3S MolecularWeight: 440.450783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NC2=C1C=C(C=C2)NC3=NC(=NC=C3F)NC4=CC(=CC=C4)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=O)NC2=C1C=C(C=C2)NC3=NC(=NC=C3F)NC4=CC(=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C20H17FN6O3S/c1-11-7-18(28)26-17-6-5-13(9-15(11)17)24-19-16(21)10-23-20(27-19)25-12-3-2-4-14(8-12)31(22,29)30/h2-10H,1H3,(H,26,28)(H2,22,29,30)(H2,23,24,25,27)