6-[bis(oxidanyl)methylidene]-2-[3-(2-phenylmethoxyethyl)thiophen-2-yl]-1H-pyrimidine-4,5-dione

Systemtic Name: 6-[bis(oxidanyl)methylidene]-2-[3-(2-phenylmethoxyethyl)thiophen-2-yl]-1H-pyrimidine-4,5-dione Openeye Name: 2-[3-(2-benzyloxyethyl)-2-thienyl]-6-(dihydroxymethylene)-1H-pyrimidine-4,5-dione CAS Name: 6-(dihydroxymethylidene)-2-[3-(2-phenylmethoxyethyl)-2-thiophenyl]-1H-pyrimidine-4,5-dione IUPAC Name: 6-(dihydroxymethylidene)-2-[3-(2-phenylmethoxyethyl)thiophen-2-yl]-1H-pyrimidine-4,5-dione Traditional Name: 2-[3-(2-benzoxyethyl)-2-thienyl]-6-(dihydroxymethylene)-1H-pyrimidine-4,5-quinone Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCC2=C(SC=C2)C3=NC(=O)C(=O)C(=C(O)O)N3

Isomeric SMILES

C1=CC=C(C=C1)COCCC2=C(SC=C2)C3=NC(=O)C(=O)C(=C(O)O)N3

InChI

InChI=1S/C18H16N2O5S/c21-14-13(18(23)24)19-16(20-17(14)22)15-12(7-9-26-15)6-8-25-10-11-4-2-1-3-5-11/h1-5,7,9,23-24H,6,8,10H2,(H,19,20,22)