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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=NC3=C2SC4=CC=CC(=C43)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2=NC=NC3=C2SC4=CC=CC(=C43)F)C(=O)O

InChI

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