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

Systemtic Name: 7-methyl-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H21N4OS+ MolecularWeight: 377.48264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC(=C(N3)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC(=C(N3)C)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4OS/c1-14-8-9-19-23-17(11-20(26)25(19)12-14)13-27-21-22-15(2)18(24-21)10-16-6-4-3-5-7-16/h3-9,11-12H,10,13H2,1-2H3,(H,22,24)/p+1