2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)benzoic acid

Systemtic Name: 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)benzoic acid Openeye Name: 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)benzoic acid CAS Name: 2-(2-imidazo[1,2-a]pyrimidinylmethylthio)benzoic acid IUPAC Name: 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)benzoic acid Traditional Name: 2-(imidazo[1,2-a]pyrimidin-2-ylmethylthio)benzoic acid Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC2=CN3C=CC=NC3=N2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC2=CN3C=CC=NC3=N2

InChI

InChI=1S/C14H11N3O2S/c18-13(19)11-4-1-2-5-12(11)20-9-10-8-17-7-3-6-15-14(17)16-10/h1-8H,9H2,(H,18,19)