sodium 7-[[5-chloranyl-2,6-bis(fluoranyl)pyrimidin-4-yl]amino]-4-oxidanyl-naphthalene-2-sulfonate

Systemtic Name: sodium 7-[[5-chloranyl-2,6-bis(fluoranyl)pyrimidin-4-yl]amino]-4-oxidanyl-naphthalene-2-sulfonate Openeye Name: sodium 7-[(5-chloro-2,6-difluoro-pyrimidin-4-yl)amino]-4-hydroxy-naphthalene-2-sulfonate CAS Name: sodium 7-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonate IUPAC Name: sodium 7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-4-hydroxynaphthalene-2-sulfonate Traditional Name: sodium 7-[(5-chloro-2,6-difluoro-pyrimidin-4-yl)amino]-4-hydroxy-naphthalene-2-sulfonate Formula: C14H7ClF2N3NaO4S MolecularWeight: 409.727656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C=C1NC3=C(C(=NC(=N3)F)F)Cl)S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

C1=CC2=C(C=C(C=C2C=C1NC3=C(C(=NC(=N3)F)F)Cl)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C14H8ClF2N3O4S.Na/c15-11-12(16)19-14(17)20-13(11)18-7-1-2-9-6(3-7)4-8(5-10(9)21)25(22,23)24;/h1-5,21H,(H,18,19,20)(H,22,23,24);/q;+1/p-1