2-azanyl-4-[(6-fluoranylpyrimidin-4-yl)amino]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[(6-fluoranylpyrimidin-4-yl)amino]benzenesulfonic acid Openeye Name: 2-amino-4-[(6-fluoropyrimidin-4-yl)amino]benzenesulfonic acid CAS Name: 2-amino-4-[(6-fluoro-4-pyrimidinyl)amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[(6-fluoropyrimidin-4-yl)amino]benzenesulfonic acid Traditional Name: 2-amino-4-[(6-fluoropyrimidin-4-yl)amino]besylic acid Formula: C10H9FN4O3S MolecularWeight: 284.266863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=CC(=NC=N2)F)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC2=CC(=NC=N2)F)N)S(=O)(=O)O

InChI

InChI=1S/C10H9FN4O3S/c11-9-4-10(14-5-13-9)15-6-1-2-8(7(12)3-6)19(16,17)18/h1-5H,12H2,(H,13,14,15)(H,16,17,18)