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

Systemtic Name: 2-azanyl-4-[[4-(dimethylamino)-6-fluoranyl-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Openeye Name: 2-amino-4-[[4-(dimethylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]benzenesulfonic acid CAS Name: 2-amino-4-[[4-(dimethylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[[4-(dimethylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Traditional Name: 2-amino-4-[[4-(dimethylamino)-6-fluoro-s-triazin-2-yl]amino]besylic acid Formula: C11H13FN6O3S MolecularWeight: 328.322723

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)NC2=CC(=C(C=C2)S(=O)(=O)O)N)F

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)NC2=CC(=C(C=C2)S(=O)(=O)O)N)F

InChI

InChI=1S/C11H13FN6O3S/c1-18(2)11-16-9(12)15-10(17-11)14-6-3-4-8(7(13)5-6)22(19,20)21/h3-5H,13H2,1-2H3,(H,19,20,21)(H,14,15,16,17)