4-[[(6-fluoranyl-1,4-dihydro-1,3,5-triazin-2-yl)amino]methyl]benzenesulfonic acid

Systemtic Name: 4-[[(6-fluoranyl-1,4-dihydro-1,3,5-triazin-2-yl)amino]methyl]benzenesulfonic acid Openeye Name: 4-[[(6-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)amino]methyl]benzenesulfonic acid CAS Name: 4-[[(6-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)amino]methyl]benzenesulfonic acid IUPAC Name: 4-[[(6-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)amino]methyl]benzenesulfonic acid Traditional Name: 4-[[(6-fluoro-1,4-dihydro-s-triazin-2-yl)amino]methyl]besylic acid Formula: C10H11FN4O3S MolecularWeight: 286.282743

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Descriptors Computed from Structure

Canonical SMILES:

C1N=C(NC(=N1)F)NCC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1N=C(NC(=N1)F)NCC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C10H11FN4O3S/c11-9-13-6-14-10(15-9)12-5-7-1-3-8(4-2-7)19(16,17)18/h1-4H,5-6H2,(H,16,17,18)(H2,12,13,14,15)