5-[[4-[[4-(1-cyanoethoxy)phenyl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide

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

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

InChI

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