5-chloranyl-2,6-bis(3-methylimidazol-3-ium-1-yl)pyrimidin-4-olate iodide

Systemtic Name: 5-chloranyl-2,6-bis(3-methylimidazol-3-ium-1-yl)pyrimidin-4-olate iodide Openeye Name: 5-chloro-2,6-bis(3-methylimidazol-3-ium-1-yl)pyrimidin-4-olate iodide CAS Name: 5-chloro-2,6-bis(3-methyl-1-imidazol-3-iumyl)-4-pyrimidinolate iodide IUPAC Name: 5-chloro-2,6-bis(3-methylimidazol-3-ium-1-yl)pyrimidin-4-olate iodide Traditional Name: 5-chloro-2,6-bis(3-methylimidazol-3-ium-1-yl)pyrimidin-4-olate iodide Formula: C12H12ClIN6O MolecularWeight: 418.62075

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)C2=C(C(=NC(=N2)N3C=C[N+](=C3)C)[O-])Cl.[I-]

Isomeric SMILES

C[N+]1=CN(C=C1)C2=C(C(=NC(=N2)N3C=C[N+](=C3)C)[O-])Cl.[I-]

InChI

InChI=1S/C12H12ClN6O.HI/c1-16-3-5-18(7-16)10-9(13)11(20)15-12(14-10)19-6-4-17(2)8-19;/h3-8H,1-2H3;1H/q+1;/p-1