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

Systemtic Name: 4-[[5-fluoranyl-4-[[4-(3-oxidanylpropyl)phenyl]amino]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[5-fluoro-4-[4-(3-hydroxypropyl)anilino]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[5-fluoro-4-[4-(3-hydroxypropyl)anilino]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[5-fluoro-4-[4-(3-hydroxypropyl)anilino]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[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=C1CCCO)NC2=NC(=NC=C2F)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCCO)NC2=NC(=NC=C2F)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C19H20FN5O3S/c20-17-12-22-19(24-15-7-9-16(10-8-15)29(21,27)28)25-18(17)23-14-5-3-13(4-6-14)2-1-11-26/h3-10,12,26H,1-2,11H2,(H2,21,27,28)(H2,22,23,24,25)