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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 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 (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 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 (2-keto-3,3-dimethyl-butyl) ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-12-13(2)27-18-16(12)17(21-11-22-18)23-8-6-14(7-9-23)19(25)26-10-15(24)20(3,4)5/h11,14H,6-10H2,1-5H3