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

Systemtic Name: [(1R)-2-oxidanylidenecyclohexyl] 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: [(1R)-2-oxocyclohexyl] 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 [(1R)-2-oxocyclohexyl] ester IUPAC Name: [(1R)-2-oxocyclohexyl] 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 [(1R)-2-ketocyclohexyl] ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)OC4CCCCC4=O)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)O[C@@H]4CCCCC4=O)C

InChI

InChI=1S/C20H25N3O3S/c1-12-13(2)27-19-17(12)18(21-11-22-19)23-9-7-14(8-10-23)20(25)26-16-6-4-3-5-15(16)24/h11,14,16H,3-10H2,1-2H3/t16-/m1/s1