ethyl 1-[5,6-dimethyl-2-(phenylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5,6-dimethyl-2-(phenylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-(2-benzyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate CAS Name: 1-[5,6-dimethyl-2-(phenylmethyl)-4-thieno[2,3-d]pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Traditional Name: 1-(2-benzyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)isonipecotic acid ethyl ester Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)CC4=CC=CC=C4)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C23H27N3O2S/c1-4-28-23(27)18-10-12-26(13-11-18)21-20-15(2)16(3)29-22(20)25-19(24-21)14-17-8-6-5-7-9-17/h5-9,18H,4,10-14H2,1-3H3