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

Systemtic Name: 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[[5-(4-bromophenyl)-1H-imidazol-2-yl]thio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[[5-(4-bromophenyl)-1H-imidazol-2-yl]thio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C19H16BrN4OS+ MolecularWeight: 428.32554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC=C(N3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC=C(N3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C19H15BrN4OS/c1-12-2-7-17-22-15(8-18(25)24(17)10-12)11-26-19-21-9-16(23-19)13-3-5-14(20)6-4-13/h2-10H,11H2,1H3,(H,21,23)/p+1