1-[5-(4-fluorophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[5-(4-fluorophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-(4-fluorophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-(4-fluorophenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-(4-fluorophenyl)-6-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=C(C2=C(N=CN=C2S1)N3CCC(CC3)C(=O)O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)N3CCC(CC3)C(=O)O)C4=CC=C(C=C4)F

InChI

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