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

Systemtic Name: 5-(4-chlorophenyl)-2-[(3-ethanoylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3-acetylpyridin-1-ium-1-yl)methyl]-5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3-acetyl-1-pyridin-1-iumyl)methyl]-5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3-acetylpyridin-1-ium-1-yl)methyl]-5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(3-acetylpyridin-1-ium-1-yl)methyl]-5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H15ClN3O2S+ MolecularWeight: 396.87

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClN3O2S/c1-12(25)14-3-2-8-24(9-14)10-17-22-19(26)18-16(11-27-20(18)23-17)13-4-6-15(21)7-5-13/h2-9,11H,10H2,1H3/p+1