3-[[4-[[4-(2-cyanopropan-2-yloxy)phenyl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[4-[[4-(2-cyanopropan-2-yloxy)phenyl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[4-[4-(1-cyano-1-methyl-ethoxy)anilino]-5-fluoro-pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[4-[4-(2-cyanopropan-2-yloxy)anilino]-5-fluoro-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[4-[4-(2-cyanopropan-2-yloxy)anilino]-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[4-[4-(1-cyano-1-methyl-ethoxy)anilino]-5-fluoro-pyrimidin-2-yl]amino]benzenesulfonamide Formula: C20H19FN6O3S MolecularWeight: 442.466663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)OC1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)S(=O)(=O)N

Isomeric SMILES

CC(C)(C#N)OC1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C20H19FN6O3S/c1-20(2,12-22)30-15-8-6-13(7-9-15)25-18-17(21)11-24-19(27-18)26-14-4-3-5-16(10-14)31(23,28)29/h3-11H,1-2H3,(H2,23,28,29)(H2,24,25,26,27)