2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylsulfanyl)aniline

Systemtic Name: 2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylsulfanyl)aniline Openeye Name: 2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylsulfanyl)aniline CAS Name: 2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylthio)aniline IUPAC Name: 2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylsulfanyl)aniline Traditional Name: [2-(1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethylthio)phenyl]amine Formula: C13H13N4S+ MolecularWeight: 257.33412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)SCC2=C[N+]3=CC=CN=C3N2

Isomeric SMILES

C1=CC=C(C(=C1)N)SCC2=C[N+]3=CC=CN=C3N2

InChI

InChI=1S/C13H12N4S/c14-11-4-1-2-5-12(11)18-9-10-8-17-7-3-6-15-13(17)16-10/h1-8H,9,14H2/p+1