2-[[2-(2-fluoranylphenoxy)ethyl-methyl-azaniumyl]methyl]thieno[3,2-d]pyrimidin-4-olate

Systemtic Name: 2-[[2-(2-fluoranylphenoxy)ethyl-methyl-azaniumyl]methyl]thieno[3,2-d]pyrimidin-4-olate Openeye Name: 2-[[2-(2-fluorophenoxy)ethyl-methyl-ammonio]methyl]thieno[3,2-d]pyrimidin-4-olate CAS Name: 2-[[2-(2-fluorophenoxy)ethyl-methylammonio]methyl]-4-thieno[3,2-d]pyrimidinolate IUPAC Name: 2-[[2-(2-fluorophenoxy)ethyl-methylazaniumyl]methyl]thieno[3,2-d]pyrimidin-4-olate Traditional Name: 2-[[2-(2-fluorophenoxy)ethyl-methyl-ammonio]methyl]thieno[3,2-d]pyrimidin-4-olate Formula: C16H16FN3O2S MolecularWeight: 333.380543

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=CC=C1F)CC2=NC3=C(C(=N2)[O-])SC=C3

Isomeric SMILES

C[NH+](CCOC1=CC=CC=C1F)CC2=NC3=C(C(=N2)[O-])SC=C3

InChI

InChI=1S/C16H16FN3O2S/c1-20(7-8-22-13-5-3-2-4-11(13)17)10-14-18-12-6-9-23-15(12)16(21)19-14/h2-6,9H,7-8,10H2,1H3,(H,18,19,21)