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

Systemtic Name: 4-[[4-[[4-(1-cyanoethoxy)phenyl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-methoxy-benzenesulfonamide Openeye Name: 4-[[4-[4-(1-cyanoethoxy)anilino]-5-fluoro-pyrimidin-2-yl]amino]-2-methoxy-benzenesulfonamide CAS Name: 4-[[4-[4-(1-cyanoethoxy)anilino]-5-fluoro-2-pyrimidinyl]amino]-2-methoxybenzenesulfonamide IUPAC Name: 4-[[4-[4-(1-cyanoethoxy)anilino]-5-fluoropyrimidin-2-yl]amino]-2-methoxybenzenesulfonamide Traditional Name: 4-[[4-[4-(1-cyanoethoxy)anilino]-5-fluoro-pyrimidin-2-yl]amino]-2-methoxy-benzenesulfonamide Formula: C20H19FN6O4S MolecularWeight: 458.466063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CC(=C(C=C3)S(=O)(=O)N)OC

Isomeric SMILES

CC(C#N)OC1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CC(=C(C=C3)S(=O)(=O)N)OC

InChI

InChI=1S/C20H19FN6O4S/c1-12(10-22)31-15-6-3-13(4-7-15)25-19-16(21)11-24-20(27-19)26-14-5-8-18(32(23,28)29)17(9-14)30-2/h3-9,11-12H,1-2H3,(H2,23,28,29)(H2,24,25,26,27)