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

Systemtic Name: 4-[[5-fluoranyl-4-[[4-(4-oxidanylbutyl)phenyl]amino]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[5-fluoro-4-[4-(4-hydroxybutyl)anilino]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[5-fluoro-4-[4-(4-hydroxybutyl)anilino]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[5-fluoro-4-[4-(4-hydroxybutyl)anilino]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[5-fluoro-4-[4-(4-hydroxybutyl)anilino]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C20H22FN5O3S MolecularWeight: 431.483783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCO)NC2=NC(=NC=C2F)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCCCO)NC2=NC(=NC=C2F)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H22FN5O3S/c21-18-13-23-20(25-16-8-10-17(11-9-16)30(22,28)29)26-19(18)24-15-6-4-14(5-7-15)3-1-2-12-27/h4-11,13,27H,1-3,12H2,(H2,22,28,29)(H2,23,24,25,26)