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

Systemtic Name: 5-[[4-[[4-(cyanomethoxy)-3-methyl-phenyl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide Openeye Name: 5-[[4-[4-(cyanomethoxy)-3-methyl-anilino]-5-fluoro-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide CAS Name: 5-[[4-[4-(cyanomethoxy)-3-methylanilino]-5-fluoro-2-pyrimidinyl]amino]-2-methylbenzenesulfonamide IUPAC Name: 5-[[4-[4-(cyanomethoxy)-3-methylanilino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide Traditional Name: 5-[[4-[4-(cyanomethoxy)-3-methyl-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)OCC#N)C)F)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC(=C(C=C3)OCC#N)C)F)S(=O)(=O)N

InChI

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