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

Systemtic Name: 2-(3-azanylthiophen-2-yl)-6-[bis(oxidanyl)methylidene]-1H-pyrimidine-4,5-dione hydrochloride Openeye Name: 2-(3-amino-2-thienyl)-6-(dihydroxymethylene)-1H-pyrimidine-4,5-dione hydrochloride CAS Name: 2-(3-amino-2-thiophenyl)-6-(dihydroxymethylidene)-1H-pyrimidine-4,5-dione hydrochloride IUPAC Name: 2-(3-aminothiophen-2-yl)-6-(dihydroxymethylidene)-1H-pyrimidine-4,5-dione hydrochloride Traditional Name: 2-(3-amino-2-thienyl)-6-(dihydroxymethylene)-1H-pyrimidine-4,5-quinone hydrochloride Formula: C9H8ClN3O4S MolecularWeight: 289.69552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1N)C2=NC(=O)C(=O)C(=C(O)O)N2.Cl

Isomeric SMILES

C1=CSC(=C1N)C2=NC(=O)C(=O)C(=C(O)O)N2.Cl

InChI

InChI=1S/C9H7N3O4S.ClH/c10-3-1-2-17-6(3)7-11-4(9(15)16)5(13)8(14)12-7;/h1-2,15-16H,10H2,(H,11,12,14);1H