3-[[2,6-bis(fluoranyl)pyrimidin-4-yl]amino]cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 3-[[2,6-bis(fluoranyl)pyrimidin-4-yl]amino]cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 3-[(2,6-difluoropyrimidin-4-yl)amino]cyclohexa-1,3-diene-1-sulfonic acid CAS Name: 3-[(2,6-difluoro-4-pyrimidinyl)amino]-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 3-[(2,6-difluoropyrimidin-4-yl)amino]cyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 3-[(2,6-difluoropyrimidin-4-yl)amino]cyclohexa-1,3-diene-1-sulfonic acid Formula: C10H9F2N3O3S MolecularWeight: 289.258566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=C1)NC2=CC(=NC(=N2)F)F)S(=O)(=O)O

Isomeric SMILES

C1CC(=CC(=C1)NC2=CC(=NC(=N2)F)F)S(=O)(=O)O

InChI

InChI=1S/C10H9F2N3O3S/c11-8-5-9(15-10(12)14-8)13-6-2-1-3-7(4-6)19(16,17)18/h2,4-5H,1,3H2,(H,13,14,15)(H,16,17,18)