2-[(3-oxidanylpyridin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one chloride

Systemtic Name: 2-[(3-oxidanylpyridin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one chloride Openeye Name: 2-[(3-hydroxypyridin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one chloride CAS Name: 2-[(3-hydroxy-1-pyridin-1-iumyl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one chloride IUPAC Name: 2-[(3-hydroxypyridin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one chloride Traditional Name: 2-[(3-hydroxypyridin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one chloride Formula: C12H10ClN3O2S MolecularWeight: 295.7447

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC2=NC(=O)C3=C(N2)C=CS3)O.[Cl-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CC2=NC(=O)C3=C(N2)C=CS3)O.[Cl-]

InChI

InChI=1S/C12H9N3O2S.ClH/c16-8-2-1-4-15(6-8)7-10-13-9-3-5-18-11(9)12(17)14-10;/h1-6H,7H2,(H-,13,14,16,17);1H