1-(9-fluoranyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid

Systemtic Name: 1-(9-fluoranyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid Openeye Name: 1-(9-fluorobenzothiopheno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid CAS Name: 1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-4-piperidinecarboxylic acid IUPAC Name: 1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid Traditional Name: 1-(9-fluorobenzothiopheno[3,2-d]pyrimidin-4-yl)isonipecotic acid Formula: C16H14FN3O2S MolecularWeight: 331.364663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC=NC3=C2SC4=CC=CC(=C43)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC=NC3=C2SC4=CC=CC(=C43)F

InChI

InChI=1S/C16H14FN3O2S/c17-10-2-1-3-11-12(10)13-14(23-11)15(19-8-18-13)20-6-4-9(5-7-20)16(21)22/h1-3,8-9H,4-7H2,(H,21,22)