7-[[2,6-bis(fluoranyl)pyrimidin-4-yl]amino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 7-[[2,6-bis(fluoranyl)pyrimidin-4-yl]amino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 7-[(2,6-difluoropyrimidin-4-yl)amino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 7-[(2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 7-[(2,6-difluoropyrimidin-4-yl)amino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 7-[(2,6-difluoropyrimidin-4-yl)amino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C14H9F2N3O4S MolecularWeight: 353.300766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C=C1NC3=CC(=NC(=N3)F)F)S(=O)(=O)O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C=C1NC3=CC(=NC(=N3)F)F)S(=O)(=O)O)O

InChI

InChI=1S/C14H9F2N3O4S/c15-12-6-13(19-14(16)18-12)17-8-1-2-10-7(3-8)4-9(5-11(10)20)24(21,22)23/h1-6,20H,(H,17,18,19)(H,21,22,23)