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

Systemtic Name: 4-[[4-[[3-(cyanomethoxy)phenyl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[4-[3-(cyanomethoxy)anilino]-5-fluoro-pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[4-[3-(cyanomethoxy)anilino]-5-fluoro-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[4-[3-(cyanomethoxy)anilino]-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[4-[3-(cyanomethoxy)anilino]-5-fluoro-pyrimidin-2-yl]amino]benzenesulfonamide Formula: C18H15FN6O3S MolecularWeight: 414.413503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15FN6O3S/c19-16-11-22-18(24-12-4-6-15(7-5-12)29(21,26)27)25-17(16)23-13-2-1-3-14(10-13)28-9-8-20/h1-7,10-11H,9H2,(H2,21,26,27)(H2,22,23,24,25)