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

Systemtic Name: 2-[[2-(4-bromophenyl)quinazolin-4-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[2-(4-bromophenyl)quinazolin-4-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[[2-(4-bromophenyl)-4-quinazolinyl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[2-(4-bromophenyl)quinazolin-4-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[[2-(4-bromophenyl)quinazolin-4-yl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C23H16BrN4OS+ MolecularWeight: 476.36834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)Br)SCC4=CC(=O)[N+]5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)Br)SCC4=CC(=O)[N+]5=CC=CC=C5N4

InChI

InChI=1S/C23H15BrN4OS/c24-16-10-8-15(9-11-16)22-26-19-6-2-1-5-18(19)23(27-22)30-14-17-13-21(29)28-12-4-3-7-20(28)25-17/h1-13H,14H2/p+1