5-chloranyl-6-[(3-methylimidazol-3-ium-1-yl)methyl]-4-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 5-chloranyl-6-[(3-methylimidazol-3-ium-1-yl)methyl]-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 5-chloro-6-[(3-methylimidazol-3-ium-1-yl)methyl]-4-oxo-1H-pyrimidin-2-olate CAS Name: 5-chloro-6-[(3-methyl-1-imidazol-3-iumyl)methyl]-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 5-chloro-6-[(3-methylimidazol-3-ium-1-yl)methyl]-4-oxo-1H-pyrimidin-2-olate Traditional Name: 5-chloro-4-keto-6-[(3-methylimidazol-3-ium-1-yl)methyl]-1H-pyrimidin-2-olate Formula: C9H9ClN4O2 MolecularWeight: 240.64636

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC2=C(C(=O)N=C(N2)[O-])Cl

Isomeric SMILES

C[N+]1=CN(C=C1)CC2=C(C(=O)N=C(N2)[O-])Cl

InChI

InChI=1S/C9H9ClN4O2/c1-13-2-3-14(5-13)4-6-7(10)8(15)12-9(16)11-6/h2-3,5H,4H2,1H3,(H-,11,12,15,16)