3-[[5,6-bis(fluoranyl)pyrimidin-4-yl]amino]-8-oxidanyl-naphthalene-1,5-disulfonic acid

Systemtic Name: 3-[[5,6-bis(fluoranyl)pyrimidin-4-yl]amino]-8-oxidanyl-naphthalene-1,5-disulfonic acid Openeye Name: 3-[(5,6-difluoropyrimidin-4-yl)amino]-8-hydroxy-naphthalene-1,5-disulfonic acid CAS Name: 3-[(5,6-difluoro-4-pyrimidinyl)amino]-8-hydroxynaphthalene-1,5-disulfonic acid IUPAC Name: 3-[(5,6-difluoropyrimidin-4-yl)amino]-8-hydroxynaphthalene-1,5-disulfonic acid Traditional Name: 3-[(5,6-difluoropyrimidin-4-yl)amino]-8-hydroxy-naphthalene-1,5-disulfonic acid Formula: C14H9F2N3O7S2 MolecularWeight: 433.363966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(C=C(C2=C1O)S(=O)(=O)O)NC3=C(C(=NC=N3)F)F)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C2C=C(C=C(C2=C1O)S(=O)(=O)O)NC3=C(C(=NC=N3)F)F)S(=O)(=O)O

InChI

InChI=1S/C14H9F2N3O7S2/c15-12-13(16)17-5-18-14(12)19-6-3-7-9(27(21,22)23)2-1-8(20)11(7)10(4-6)28(24,25)26/h1-5,20H,(H,17,18,19)(H,21,22,23)(H,24,25,26)