1-[5-(4-fluorophenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[5-(4-fluorophenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-(4-fluorophenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-(4-fluorophenyl)-2-methyl-4-thieno[2,3-d]pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-(4-fluorophenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-(4-fluorophenyl)-2-methyl-thieno[2,3-d]pyrimidin-4-yl]isonipecotic acid Formula: C19H18FN3O2S MolecularWeight: 371.428523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=C(C=C3)F)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=C(C=C3)F)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C19H18FN3O2S/c1-11-21-17(23-8-6-13(7-9-23)19(24)25)16-15(10-26-18(16)22-11)12-2-4-14(20)5-3-12/h2-5,10,13H,6-9H2,1H3,(H,24,25)