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

Systemtic Name: 2-[(3-ethanoylpyridin-1-ium-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3-acetylpyridin-1-ium-1-yl)methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3-acetyl-1-pyridin-1-iumyl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3-acetylpyridin-1-ium-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(3-acetylpyridin-1-ium-1-yl)methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H14N3O2S2+ MolecularWeight: 368.45266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O2S2/c1-11(22)12-4-2-6-21(8-12)9-15-19-17(23)16-13(10-25-18(16)20-15)14-5-3-7-24-14/h2-8,10H,9H2,1H3/p+1