3-(3-methylimidazol-3-ium-1-yl)-4,5-bis(oxidanylidene)-1-pyrimidin-2-yl-pyrrol-2-olate

Systemtic Name: 3-(3-methylimidazol-3-ium-1-yl)-4,5-bis(oxidanylidene)-1-pyrimidin-2-yl-pyrrol-2-olate Openeye Name: 3-(3-methylimidazol-3-ium-1-yl)-4,5-dioxo-1-pyrimidin-2-yl-pyrrol-2-olate CAS Name: 3-(3-methyl-1-imidazol-3-iumyl)-4,5-dioxo-1-(2-pyrimidinyl)-2-pyrrololate IUPAC Name: 3-(3-methylimidazol-3-ium-1-yl)-4,5-dioxo-1-pyrimidin-2-ylpyrrol-2-olate Traditional Name: 4,5-diketo-3-(3-methylimidazol-3-ium-1-yl)-1-(2-pyrimidyl)-2-pyrrolin-2-olate Formula: C12H9N5O3 MolecularWeight: 271.23156

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)C2=C(N(C(=O)C2=O)C3=NC=CC=N3)[O-]

Isomeric SMILES

C[N+]1=CN(C=C1)C2=C(N(C(=O)C2=O)C3=NC=CC=N3)[O-]

InChI

InChI=1S/C12H9N5O3/c1-15-5-6-16(7-15)8-9(18)11(20)17(10(8)19)12-13-3-2-4-14-12/h2-7H,1H3