sodium 5-[(E)-(8-bromanyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)iminomethyl]furan-2-sulfonate

Systemtic Name: sodium 5-[(E)-(8-bromanyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)iminomethyl]furan-2-sulfonate Openeye Name: sodium 5-[(E)-(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)iminomethyl]furan-2-sulfonate CAS Name: sodium 5-[(E)-(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)iminomethyl]-2-furansulfonate IUPAC Name: sodium 5-[(E)-(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)iminomethyl]furan-2-sulfonate Traditional Name: sodium 5-[(E)-(8-bromo-4-keto-5H-pyrimid[5,4-b]indol-3-yl)iminomethyl]furan-2-sulfonate Formula: C15H8BrN4NaO5S MolecularWeight: 459.20659

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C3=C(N2)C(=O)N(C=N3)N=CC4=CC=C(O4)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC2=C(C=C1Br)C3=C(N2)C(=O)N(C=N3)/N=C/C4=CC=C(O4)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H9BrN4O5S.Na/c16-8-1-3-11-10(5-8)13-14(19-11)15(21)20(7-17-13)18-6-9-2-4-12(25-9)26(22,23)24;/h1-7,19H,(H,22,23,24);/q;+1/p-1/b18-6+;