5-[[4-[[4-(2-cyanopropan-2-yloxy)phenyl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide

Systemtic Name: 5-[[4-[[4-(2-cyanopropan-2-yloxy)phenyl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide Openeye Name: 5-[[4-[4-(1-cyano-1-methyl-ethoxy)anilino]-5-fluoro-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide CAS Name: 5-[[4-[4-(2-cyanopropan-2-yloxy)anilino]-5-fluoro-2-pyrimidinyl]amino]-2-methylbenzenesulfonamide IUPAC Name: 5-[[4-[4-(2-cyanopropan-2-yloxy)anilino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide Traditional Name: 5-[[4-[4-(1-cyano-1-methyl-ethoxy)anilino]-5-fluoro-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide Formula: C21H21FN6O3S MolecularWeight: 456.493243

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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)OC(C)(C)C#N)F)S(=O)(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN6O3S/c1-13-4-5-15(10-18(13)32(24,29)30)27-20-25-11-17(22)19(28-20)26-14-6-8-16(9-7-14)31-21(2,3)12-23/h4-11H,1-3H3,(H2,24,29,30)(H2,25,26,27,28)