2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylsulfanyl)-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylsulfanyl)-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylsulfanyl)-6-methyl-1H-pyrimidin-4-one CAS Name: 2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylthio)-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylsulfanyl)-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylthio)-6-methyl-1H-pyrimidin-4-one Formula: C12H12N5OS+ MolecularWeight: 274.32158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC2=C[N+]3=CC=CN=C3N2

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC2=C[N+]3=CC=CN=C3N2

InChI

InChI=1S/C12H11N5OS/c1-8-5-10(18)16-12(14-8)19-7-9-6-17-4-2-3-13-11(17)15-9/h2-6H,7H2,1H3,(H,14,16,18)/p+1