2-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]ethanoate

Systemtic Name: 2-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]ethanoate Openeye Name: 2-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]ammonio]acetate CAS Name: 2-[[5-(3,4-dimethoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]ammonio]acetate IUPAC Name: 2-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]acetate Traditional Name: 2-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]ammonio]acetate Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)[NH2+]CC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)[NH2+]CC(=O)[O-])OC

InChI

InChI=1S/C16H15N3O4S/c1-22-11-4-3-9(5-12(11)23-2)10-7-24-16-14(10)15(18-8-19-16)17-6-13(20)21/h3-5,7-8H,6H2,1-2H3,(H,20,21)(H,17,18,19)