5-[(Z)-(8-fluoranyl-2-oxidanidyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)iminomethyl]furan-2-sulfonate

Systemtic Name: 5-[(Z)-(8-fluoranyl-2-oxidanidyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)iminomethyl]furan-2-sulfonate Openeye Name: 5-[(Z)-(8-fluoro-2-oxido-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)iminomethyl]furan-2-sulfonate CAS Name: 5-[(Z)-(8-fluoro-2-oxido-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)iminomethyl]-2-furansulfonate IUPAC Name: 5-[(Z)-(8-fluoro-2-oxido-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)iminomethyl]furan-2-sulfonate Traditional Name: 5-[(Z)-(8-fluoro-4-keto-2-oxido-5H-pyrimid[5,4-b]indol-3-yl)iminomethyl]furan-2-sulfonate Formula: C15H7FN4O6S-2 MolecularWeight: 390.302683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1F)C3=C(N2)C(=O)N(C(=N3)[O-])N=CC4=CC=C(O4)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1F)C3=C(N2)C(=O)N(C(=N3)[O-])/N=C\C4=CC=C(O4)S(=O)(=O)[O-]

InChI

InChI=1S/C15H9FN4O6S/c16-7-1-3-10-9(5-7)12-13(18-10)14(21)20(15(22)19-12)17-6-8-2-4-11(26-8)27(23,24)25/h1-6,18H,(H,19,22)(H,23,24,25)/p-2/b17-6-