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

Systemtic Name: 2-[[methyl(2-phenoxyethyl)azaniumyl]methyl]thieno[3,2-d]pyrimidin-4-olate Openeye Name: 2-[[methyl(2-phenoxyethyl)ammonio]methyl]thieno[3,2-d]pyrimidin-4-olate CAS Name: 2-[[methyl(2-phenoxyethyl)ammonio]methyl]-4-thieno[3,2-d]pyrimidinolate IUPAC Name: 2-[[methyl(2-phenoxyethyl)azaniumyl]methyl]thieno[3,2-d]pyrimidin-4-olate Traditional Name: 2-[[methyl(2-phenoxyethyl)ammonio]methyl]thieno[3,2-d]pyrimidin-4-olate Formula: C16H17N3O2S MolecularWeight: 315.39008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2S/c1-19(8-9-21-12-5-3-2-4-6-12)11-14-17-13-7-10-22-15(13)16(20)18-14/h2-7,10H,8-9,11H2,1H3,(H,17,18,20)