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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(=O)C2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C

Isomeric SMILES

CC1=CC(=CC=C1)OC(=O)C2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C

InChI

InChI=1S/C21H23N3O2S/c1-13-5-4-6-17(11-13)26-21(25)16-7-9-24(10-8-16)19-18-14(2)15(3)27-20(18)23-12-22-19/h4-6,11-12,16H,7-10H2,1-3H3