(3-cyanophenyl) 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate

Systemtic Name: (3-cyanophenyl) 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: (3-cyanophenyl) 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate CAS Name: 1-(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)-4-piperidinecarboxylic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Traditional Name: 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)isonipecotic acid (3-cyanophenyl) ester Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)OC4=CC=CC(=C4)C#N)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)OC4=CC=CC(=C4)C#N)C

InChI

InChI=1S/C21H20N4O2S/c1-13-14(2)28-20-18(13)19(23-12-24-20)25-8-6-16(7-9-25)21(26)27-17-5-3-4-15(10-17)11-22/h3-5,10,12,16H,6-9H2,1-2H3