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

Systemtic Name: (2-methylphenyl)methyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: o-tolylmethyl 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 (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl 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-methylbenzyl) ester Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)C2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C

Isomeric SMILES

CC1=CC=CC=C1COC(=O)C2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C

InChI

InChI=1S/C22H25N3O2S/c1-14-6-4-5-7-18(14)12-27-22(26)17-8-10-25(11-9-17)20-19-15(2)16(3)28-21(19)24-13-23-20/h4-7,13,17H,8-12H2,1-3H3