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

Systemtic Name: 4-[[4-[[4-(2-cyanopropan-2-yloxy)phenyl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-methoxy-benzenesulfonamide Openeye Name: 4-[[4-[4-(1-cyano-1-methyl-ethoxy)anilino]-5-fluoro-pyrimidin-2-yl]amino]-2-methoxy-benzenesulfonamide CAS Name: 4-[[4-[4-(2-cyanopropan-2-yloxy)anilino]-5-fluoro-2-pyrimidinyl]amino]-2-methoxybenzenesulfonamide IUPAC Name: 4-[[4-[4-(2-cyanopropan-2-yloxy)anilino]-5-fluoropyrimidin-2-yl]amino]-2-methoxybenzenesulfonamide Traditional Name: 4-[[4-[4-(1-cyano-1-methyl-ethoxy)anilino]-5-fluoro-pyrimidin-2-yl]amino]-2-methoxy-benzenesulfonamide Formula: C21H21FN6O4S MolecularWeight: 472.492643

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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(=C(C=C3)S(=O)(=O)N)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN6O4S/c1-21(2,12-23)32-15-7-4-13(5-8-15)26-19-16(22)11-25-20(28-19)27-14-6-9-18(33(24,29)30)17(10-14)31-3/h4-11H,1-3H3,(H2,24,29,30)(H2,25,26,27,28)