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

Systemtic Name: 2-[(4-fluoranyl-1,4-dihydro-1,3,5-triazin-2-yl)amino]naphthalene-1-sulfonic acid Openeye Name: 2-[(4-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)amino]naphthalene-1-sulfonic acid CAS Name: 2-[(4-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)amino]-1-naphthalenesulfonic acid IUPAC Name: 2-[(4-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)amino]naphthalene-1-sulfonic acid Traditional Name: 2-[(4-fluoro-1,4-dihydro-s-triazin-2-yl)amino]naphthalene-1-sulfonic acid Formula: C13H11FN4O3S MolecularWeight: 322.314843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)O)NC3=NC(N=CN3)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)O)NC3=NC(N=CN3)F

InChI

InChI=1S/C13H11FN4O3S/c14-12-15-7-16-13(18-12)17-10-6-5-8-3-1-2-4-9(8)11(10)22(19,20)21/h1-7,12H,(H,19,20,21)(H2,15,16,17,18)