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

Systemtic Name: 4-[[4-[[3-(cyanomethoxy)phenyl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-methoxy-benzenesulfonamide Openeye Name: 4-[[4-[3-(cyanomethoxy)anilino]-5-fluoro-pyrimidin-2-yl]amino]-2-methoxy-benzenesulfonamide CAS Name: 4-[[4-[3-(cyanomethoxy)anilino]-5-fluoro-2-pyrimidinyl]amino]-2-methoxybenzenesulfonamide IUPAC Name: 4-[[4-[3-(cyanomethoxy)anilino]-5-fluoropyrimidin-2-yl]amino]-2-methoxybenzenesulfonamide Traditional Name: 4-[[4-[3-(cyanomethoxy)anilino]-5-fluoro-pyrimidin-2-yl]amino]-2-methoxy-benzenesulfonamide Formula: C19H17FN6O4S MolecularWeight: 444.439483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)OCC#N)F)S(=O)(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)OCC#N)F)S(=O)(=O)N

InChI

InChI=1S/C19H17FN6O4S/c1-29-16-10-13(5-6-17(16)31(22,27)28)25-19-23-11-15(20)18(26-19)24-12-3-2-4-14(9-12)30-8-7-21/h2-6,9-11H,8H2,1H3,(H2,22,27,28)(H2,23,24,25,26)