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

Systemtic Name: 2-[(6-fluoranyl-1,4-dihydro-1,3,5-triazin-2-yl)amino]-4-sulfo-benzoic acid Openeye Name: 2-[(6-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)amino]-4-sulfo-benzoic acid CAS Name: 2-[(6-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)amino]-4-sulfobenzoic acid IUPAC Name: 2-[(6-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)amino]-4-sulfobenzoic acid Traditional Name: 2-[(6-fluoro-1,4-dihydro-s-triazin-2-yl)amino]-4-sulfo-benzoic acid Formula: C10H9FN4O5S MolecularWeight: 316.265663

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Descriptors Computed from Structure

Canonical SMILES:

C1N=C(NC(=N1)F)NC2=C(C=CC(=C2)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1N=C(NC(=N1)F)NC2=C(C=CC(=C2)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C10H9FN4O5S/c11-9-12-4-13-10(15-9)14-7-3-5(21(18,19)20)1-2-6(7)8(16)17/h1-3H,4H2,(H,16,17)(H,18,19,20)(H2,12,13,14,15)