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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=CC1S(=O)(=O)O)NC2=CC(=NC(=N2)F)F

Isomeric SMILES

C1C=C(C=CC1S(=O)(=O)O)NC2=CC(=NC(=N2)F)F

InChI

InChI=1S/C10H9F2N3O3S/c11-8-5-9(15-10(12)14-8)13-6-1-3-7(4-2-6)19(16,17)18/h1-3,5,7H,4H2,(H,13,14,15)(H,16,17,18)