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

Systemtic Name: 3-[[5-fluoranyl-4-[(4-hydroxyphenyl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[5-fluoro-4-(4-hydroxyanilino)pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[5-fluoro-4-(4-hydroxyanilino)-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[5-fluoro-4-(4-hydroxyanilino)pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[5-fluoro-4-(4-hydroxyanilino)pyrimidin-2-yl]amino]benzenesulfonamide Formula: C16H14FN5O3S MolecularWeight: 375.377463

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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)O)F

Isomeric SMILES

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

InChI

InChI=1S/C16H14FN5O3S/c17-14-9-19-16(21-11-2-1-3-13(8-11)26(18,24)25)22-15(14)20-10-4-6-12(23)7-5-10/h1-9,23H,(H2,18,24,25)(H2,19,20,21,22)