3-(thieno[2,3-d]pyrimidin-4-ylamino)benzoate

Systemtic Name: 3-(thieno[2,3-d]pyrimidin-4-ylamino)benzoate Openeye Name: 3-(thieno[2,3-d]pyrimidin-4-ylamino)benzoate CAS Name: 3-(4-thieno[2,3-d]pyrimidinylamino)benzoate IUPAC Name: 3-(thieno[2,3-d]pyrimidin-4-ylamino)benzoate Traditional Name: 3-(thieno[2,3-d]pyrimidin-4-ylamino)benzoate Formula: C13H8N3O2S- MolecularWeight: 270.28652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C3C=CSC3=NC=N2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C3C=CSC3=NC=N2)C(=O)[O-]

InChI

InChI=1S/C13H9N3O2S/c17-13(18)8-2-1-3-9(6-8)16-11-10-4-5-19-12(10)15-7-14-11/h1-7H,(H,17,18)(H,14,15,16)/p-1