2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C12H9N3O2S2 MolecularWeight: 291.34876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC2=NC(=O)C3=C(N2)C=CS3)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC2=NC(=O)C3=C(N2)C=CS3)[O-]

InChI

InChI=1S/C12H9N3O2S2/c16-12-11-8(4-6-18-11)13-9(14-12)7-19-10-3-1-2-5-15(10)17/h1-6H,7H2,(H,13,14,16)