[2,6-bis(triethylazaniumyl)-5-(trifluoromethylsulfanyl)pyrimidin-4-yl]-triethyl-azanium

Systemtic Name: [2,6-bis(triethylazaniumyl)-5-(trifluoromethylsulfanyl)pyrimidin-4-yl]-triethyl-azanium Openeye Name: [2,6-bis(triethylammonio)-5-(trifluoromethylsulfanyl)pyrimidin-4-yl]-triethyl-ammonium CAS Name: [2,6-bis(triethylammonio)-5-(trifluoromethylthio)-4-pyrimidinyl]-triethylammonium IUPAC Name: [2,6-bis(triethylazaniumyl)-5-(trifluoromethylsulfanyl)pyrimidin-4-yl]-triethylazanium Traditional Name: [2,6-bis(triethylammonio)-5-(trifluoromethylthio)pyrimidin-4-yl]-triethyl-ammonium Formula: C23H45F3N5S+3 MolecularWeight: 480.69711

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)C1=C(C(=NC(=N1)[N+](CC)(CC)CC)[N+](CC)(CC)CC)SC(F)(F)F

Isomeric SMILES

CC[N+](CC)(CC)C1=C(C(=NC(=N1)[N+](CC)(CC)CC)[N+](CC)(CC)CC)SC(F)(F)F

InChI

InChI=1S/C23H45F3N5S/c1-10-29(11-2,12-3)20-19(32-23(24,25)26)21(30(13-4,14-5)15-6)28-22(27-20)31(16-7,17-8)18-9/h10-18H2,1-9H3/q+3