3-[[4-[[4-(1-cyanoethoxy)-3-methyl-phenyl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)S(=O)(=O)N)OC(C)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)S(=O)(=O)N)OC(C)C#N

InChI

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