4-thieno[2,3-d]pyrimidin-4-ylsulfanylbenzoic acid

Systemtic Name: 4-thieno[2,3-d]pyrimidin-4-ylsulfanylbenzoic acid Openeye Name: 4-thieno[2,3-d]pyrimidin-4-ylsulfanylbenzoic acid CAS Name: 4-(4-thieno[2,3-d]pyrimidinylthio)benzoic acid IUPAC Name: 4-thieno[2,3-d]pyrimidin-4-ylsulfanylbenzoic acid Traditional Name: 4-(thieno[2,3-d]pyrimidin-4-ylthio)benzoic acid Formula: C13H8N2O2S2 MolecularWeight: 288.34482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SC2=NC=NC3=C2C=CS3

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C13H8N2O2S2/c16-13(17)8-1-3-9(4-2-8)19-12-10-5-6-18-11(10)14-7-15-12/h1-7H,(H,16,17)