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

Systemtic Name: 3-[[5-fluoranyl-4-[[4-(3-oxidanylpropyl)phenyl]amino]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[5-fluoro-4-[4-(3-hydroxypropyl)anilino]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[5-fluoro-4-[4-(3-hydroxypropyl)anilino]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[5-fluoro-4-[4-(3-hydroxypropyl)anilino]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[5-fluoro-4-[4-(3-hydroxypropyl)anilino]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C19H20FN5O3S MolecularWeight: 417.457203

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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)CCCO)F

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN5O3S/c20-17-12-22-19(24-15-4-1-5-16(11-15)29(21,27)28)25-18(17)23-14-8-6-13(7-9-14)3-2-10-26/h1,4-9,11-12,26H,2-3,10H2,(H2,21,27,28)(H2,22,23,24,25)