6-[bis(oxidanyl)methylidene]-2-[3-(3-oxidanylprop-1-ynyl)phenyl]-1H-pyrimidine-4,5-dione

Systemtic Name: 6-[bis(oxidanyl)methylidene]-2-[3-(3-oxidanylprop-1-ynyl)phenyl]-1H-pyrimidine-4,5-dione Openeye Name: 6-(dihydroxymethylene)-2-[3-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrimidine-4,5-dione CAS Name: 6-(dihydroxymethylidene)-2-[3-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrimidine-4,5-dione IUPAC Name: 6-(dihydroxymethylidene)-2-[3-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrimidine-4,5-dione Traditional Name: 6-(dihydroxymethylene)-2-[3-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrimidine-4,5-quinone Formula: C14H10N2O5 MolecularWeight: 286.2396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=NC(=O)C(=O)C(=C(O)O)N2)C#CCO

Isomeric SMILES

C1=CC(=CC(=C1)C2=NC(=O)C(=O)C(=C(O)O)N2)C#CCO

InChI

InChI=1S/C14H10N2O5/c17-6-2-4-8-3-1-5-9(7-8)12-15-10(14(20)21)11(18)13(19)16-12/h1,3,5,7,17,20-21H,6H2,(H,15,16,19)