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

Systemtic Name: 1-[6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-ethyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-ethyl-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-ethyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]isonipecotic acid Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N=CN=C2S1)N3CCC(CC3)C(=O)O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C(C2=C(N=CN=C2S1)N3CCC(CC3)C(=O)O)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H23N3O2S/c1-3-16-17(14-6-4-13(2)5-7-14)18-19(22-12-23-20(18)27-16)24-10-8-15(9-11-24)21(25)26/h4-7,12,15H,3,8-11H2,1-2H3,(H,25,26)