2-[[1-(2-methoxyphenyl)-5-phenyl-imidazol-2-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[1-(2-methoxyphenyl)-5-phenyl-imidazol-2-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[1-(2-methoxyphenyl)-5-phenyl-imidazol-2-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[[1-(2-methoxyphenyl)-5-phenyl-2-imidazolyl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[1-(2-methoxyphenyl)-5-phenylimidazol-2-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[[1-(2-methoxyphenyl)-5-phenyl-imidazol-2-yl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C25H21N4O2S+ MolecularWeight: 441.52484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=CN=C2SCC3=CC(=O)[N+]4=CC=CC=C4N3)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2C(=CN=C2SCC3=CC(=O)[N+]4=CC=CC=C4N3)C5=CC=CC=C5

InChI

InChI=1S/C25H20N4O2S/c1-31-22-12-6-5-11-20(22)29-21(18-9-3-2-4-10-18)16-26-25(29)32-17-19-15-24(30)28-14-8-7-13-23(28)27-19/h2-16H,17H2,1H3/p+1