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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)S(=O)(=O)N)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)S(=O)(=O)N)OCC#N

InChI

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