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

Systemtic Name: 5-(4-chlorophenyl)-2-[(3-phenylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-chlorophenyl)-2-[(3-phenylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-chlorophenyl)-2-[(3-phenyl-1-pyridin-1-iumyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-chlorophenyl)-2-[(3-phenylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-chlorophenyl)-2-[(3-phenylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C24H17ClN3OS+ MolecularWeight: 430.92928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C[N+](=CC=C2)CC3=NC4=C(C(=CS4)C5=CC=C(C=C5)Cl)C(=O)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C[N+](=CC=C2)CC3=NC4=C(C(=CS4)C5=CC=C(C=C5)Cl)C(=O)N3

InChI

InChI=1S/C24H16ClN3OS/c25-19-10-8-17(9-11-19)20-15-30-24-22(20)23(29)26-21(27-24)14-28-12-4-7-18(13-28)16-5-2-1-3-6-16/h1-13,15H,14H2/p+1