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

Systemtic Name: 2-[[2-(4-chloranylphenoxy)ethyl-methyl-azaniumyl]methyl]thieno[3,2-d]pyrimidin-4-olate Openeye Name: 2-[[2-(4-chlorophenoxy)ethyl-methyl-ammonio]methyl]thieno[3,2-d]pyrimidin-4-olate CAS Name: 2-[[2-(4-chlorophenoxy)ethyl-methylammonio]methyl]-4-thieno[3,2-d]pyrimidinolate IUPAC Name: 2-[[2-(4-chlorophenoxy)ethyl-methylazaniumyl]methyl]thieno[3,2-d]pyrimidin-4-olate Traditional Name: 2-[[2-(4-chlorophenoxy)ethyl-methyl-ammonio]methyl]thieno[3,2-d]pyrimidin-4-olate Formula: C16H16ClN3O2S MolecularWeight: 349.83514

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=C(C=C1)Cl)CC2=NC3=C(C(=N2)[O-])SC=C3

Isomeric SMILES

C[NH+](CCOC1=CC=C(C=C1)Cl)CC2=NC3=C(C(=N2)[O-])SC=C3

InChI

InChI=1S/C16H16ClN3O2S/c1-20(7-8-22-12-4-2-11(17)3-5-12)10-14-18-13-6-9-23-15(13)16(21)19-14/h2-6,9H,7-8,10H2,1H3,(H,18,19,21)