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

Systemtic Name: 1-[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-methyl-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]isonipecotic acid Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)N4CCC(CC4)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)N4CCC(CC4)C(=O)O)C

InChI

InChI=1S/C20H21N3O2S/c1-12-3-5-14(6-4-12)16-13(2)26-19-17(16)18(21-11-22-19)23-9-7-15(8-10-23)20(24)25/h3-6,11,15H,7-10H2,1-2H3,(H,24,25)