4-(3-methylimidazol-3-ium-1-yl)-5-oxidanyl-1-pyrimidin-2-yl-pyrrole-2,3-dione

Systemtic Name: 4-(3-methylimidazol-3-ium-1-yl)-5-oxidanyl-1-pyrimidin-2-yl-pyrrole-2,3-dione Openeye Name: 5-hydroxy-4-(3-methylimidazol-3-ium-1-yl)-1-pyrimidin-2-yl-pyrrole-2,3-dione CAS Name: 5-hydroxy-4-(3-methyl-1-imidazol-3-iumyl)-1-(2-pyrimidinyl)pyrrole-2,3-dione IUPAC Name: 5-hydroxy-4-(3-methylimidazol-3-ium-1-yl)-1-pyrimidin-2-ylpyrrole-2,3-dione Traditional Name: 5-hydroxy-4-(3-methylimidazol-3-ium-1-yl)-1-(2-pyrimidyl)-2-pyrroline-2,3-quinone Formula: C12H10N5O3+ MolecularWeight: 272.2395

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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/p+1