6-[bis(oxidanyl)methylidene]-2-[phenylmethoxy(thiophen-2-yl)methyl]-1H-pyrimidine-4,5-dione

Systemtic Name: 6-[bis(oxidanyl)methylidene]-2-[phenylmethoxy(thiophen-2-yl)methyl]-1H-pyrimidine-4,5-dione Openeye Name: 2-[benzyloxy(2-thienyl)methyl]-6-(dihydroxymethylene)-1H-pyrimidine-4,5-dione CAS Name: 6-(dihydroxymethylidene)-2-[phenylmethoxy(thiophen-2-yl)methyl]-1H-pyrimidine-4,5-dione IUPAC Name: 6-(dihydroxymethylidene)-2-[phenylmethoxy(thiophen-2-yl)methyl]-1H-pyrimidine-4,5-dione Traditional Name: 2-[benzoxy(2-thienyl)methyl]-6-(dihydroxymethylene)-1H-pyrimidine-4,5-quinone Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(C2=CC=CS2)C3=NC(=O)C(=O)C(=C(O)O)N3

Isomeric SMILES

C1=CC=C(C=C1)COC(C2=CC=CS2)C3=NC(=O)C(=O)C(=C(O)O)N3

InChI

InChI=1S/C17H14N2O5S/c20-13-12(17(22)23)18-15(19-16(13)21)14(11-7-4-8-25-11)24-9-10-5-2-1-3-6-10/h1-8,14,22-23H,9H2,(H,18,19,21)