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

Systemtic Name: 2-azanyl-4-[[4-fluoranyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Openeye Name: 2-amino-4-[[4-fluoro-6-(methylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid CAS Name: 2-amino-4-[[4-fluoro-6-(methylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[[4-fluoro-6-(methylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Traditional Name: 2-amino-4-[[4-fluoro-6-(methylamino)-s-triazin-2-yl]amino]besylic acid Formula: C10H11FN6O3S MolecularWeight: 314.296143

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC(=N1)NC2=CC(=C(C=C2)S(=O)(=O)O)N)F

Isomeric SMILES

CNC1=NC(=NC(=N1)NC2=CC(=C(C=C2)S(=O)(=O)O)N)F

InChI

InChI=1S/C10H11FN6O3S/c1-13-9-15-8(11)16-10(17-9)14-5-2-3-7(6(12)4-5)21(18,19)20/h2-4H,12H2,1H3,(H,18,19,20)(H2,13,14,15,16,17)