2-[[2-(4-bromophenyl)quinazolin-4-yl]sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[2-(4-bromophenyl)quinazolin-4-yl]sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[2-(4-bromophenyl)quinazolin-4-yl]sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[[2-(4-bromophenyl)-4-quinazolinyl]thio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[2-(4-bromophenyl)quinazolin-4-yl]sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[[2-(4-bromophenyl)quinazolin-4-yl]thio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C24H18BrN4OS+ MolecularWeight: 490.39492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br

InChI

InChI=1S/C24H17BrN4OS/c1-15-6-11-21-26-18(12-22(30)29(21)13-15)14-31-24-19-4-2-3-5-20(19)27-23(28-24)16-7-9-17(25)10-8-16/h2-13H,14H2,1H3/p+1