7-bromanyl-2-(quinazolin-4-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-bromanyl-2-(quinazolin-4-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-bromo-2-(quinazolin-4-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-bromo-2-[(4-quinazolinylthio)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-bromo-2-(quinazolin-4-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-bromo-2-[(quinazolin-4-ylthio)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H12BrN4OS+ MolecularWeight: 400.27238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C17H11BrN4OS/c18-11-5-6-15-21-12(7-16(23)22(15)8-11)9-24-17-13-3-1-2-4-14(13)19-10-20-17/h1-8,10H,9H2/p+1