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

Systemtic Name: 3-[[5-fluoranyl-4-[[4-(4-oxidanylbutyl)phenyl]amino]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[5-fluoro-4-[4-(4-hydroxybutyl)anilino]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[5-fluoro-4-[4-(4-hydroxybutyl)anilino]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[5-fluoro-4-[4-(4-hydroxybutyl)anilino]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[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(=C1)S(=O)(=O)N)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)CCCCO)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)CCCCO)F

InChI

InChI=1S/C20H22FN5O3S/c21-18-13-23-20(25-16-5-3-6-17(12-16)30(22,28)29)26-19(18)24-15-9-7-14(8-10-15)4-1-2-11-27/h3,5-10,12-13,27H,1-2,4,11H2,(H2,22,28,29)(H2,23,24,25,26)