1-methyl-4-methylsulfanyl-thieno[3,4-d]pyrimidin-1-ium tetrafluoroborate

Systemtic Name: 1-methyl-4-methylsulfanyl-thieno[3,4-d]pyrimidin-1-ium tetrafluoroborate Openeye Name: 1-methyl-4-methylsulfanyl-thieno[3,4-d]pyrimidin-1-ium tetrafluoroborate CAS Name: 1-methyl-4-(methylthio)thieno[3,4-d]pyrimidin-1-ium tetrafluoroborate IUPAC Name: 1-methyl-4-methylsulfanylthieno[3,4-d]pyrimidin-1-ium tetrafluoroborate Traditional Name: 1-methyl-4-(methylthio)thieno[3,4-d]pyrimidin-1-ium tetrafluoroborate Formula: C8H9BF4N2S2 MolecularWeight: 284.105073

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C[N+]1=CN=C(C2=CSC=C21)SC

Isomeric SMILES

[B-](F)(F)(F)F.C[N+]1=CN=C(C2=CSC=C21)SC

InChI

InChI=1S/C8H9N2S2.BF4/c1-10-5-9-8(11-2)6-3-12-4-7(6)10;2-1(3,4)5/h3-5H,1-2H3;/q+1;-1