2-[(3-oxidanylpyridin-1-ium-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(3-oxidanylpyridin-1-ium-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3-hydroxypyridin-1-ium-1-yl)methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3-hydroxy-1-pyridin-1-iumyl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3-hydroxypyridin-1-ium-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(3-hydroxypyridin-1-ium-1-yl)methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C16H12N3O2S2+ MolecularWeight: 342.41538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)O

Isomeric SMILES

C1=CC(=C[N+](=C1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)O

InChI

InChI=1S/C16H11N3O2S2/c20-10-3-1-5-19(7-10)8-13-17-15(21)14-11(9-23-16(14)18-13)12-4-2-6-22-12/h1-7,9H,8H2,(H-,17,18,20,21)/p+1