5-[[4-[[3-(cyanomethoxy)phenyl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-propan-2-yl-benzenesulfonamide

Systemtic Name: 5-[[4-[[3-(cyanomethoxy)phenyl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-propan-2-yl-benzenesulfonamide Openeye Name: 5-[[4-[3-(cyanomethoxy)anilino]-5-fluoro-pyrimidin-2-yl]amino]-2-isopropyl-benzenesulfonamide CAS Name: 5-[[4-[3-(cyanomethoxy)anilino]-5-fluoro-2-pyrimidinyl]amino]-2-propan-2-ylbenzenesulfonamide IUPAC Name: 5-[[4-[3-(cyanomethoxy)anilino]-5-fluoropyrimidin-2-yl]amino]-2-propan-2-ylbenzenesulfonamide Traditional Name: 5-[[4-[3-(cyanomethoxy)anilino]-5-fluoro-pyrimidin-2-yl]amino]-2-isopropyl-benzenesulfonamide Formula: C21H21FN6O3S MolecularWeight: 456.493243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN6O3S/c1-13(2)17-7-6-15(11-19(17)32(24,29)30)27-21-25-12-18(22)20(28-21)26-14-4-3-5-16(10-14)31-9-8-23/h3-7,10-13H,9H2,1-2H3,(H2,24,29,30)(H2,25,26,27,28)