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

Systemtic Name: (phenylmethyl) 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C21H23N3O2S/c1-14-15(2)27-20-18(14)19(22-13-23-20)24-10-8-17(9-11-24)21(25)26-12-16-6-4-3-5-7-16/h3-7,13,17H,8-12H2,1-2H3