3-[(4-fluoranyl-1,4-dihydro-1,3,5-triazin-2-yl)amino]benzenesulfonic acid

Systemtic Name: 3-[(4-fluoranyl-1,4-dihydro-1,3,5-triazin-2-yl)amino]benzenesulfonic acid Openeye Name: 3-[(4-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)amino]benzenesulfonic acid CAS Name: 3-[(4-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)amino]benzenesulfonic acid IUPAC Name: 3-[(4-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)amino]benzenesulfonic acid Traditional Name: 3-[(4-fluoro-1,4-dihydro-s-triazin-2-yl)amino]besylic acid Formula: C9H9FN4O3S MolecularWeight: 272.256163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC(N=CN2)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC(N=CN2)F

InChI

InChI=1S/C9H9FN4O3S/c10-8-11-5-12-9(14-8)13-6-2-1-3-7(4-6)18(15,16)17/h1-5,8H,(H,15,16,17)(H2,11,12,13,14)