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

Systemtic Name: (4-cyano-2-methoxy-phenyl) 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: (4-cyano-2-methoxy-phenyl) 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 (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 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 (4-cyano-2-methoxy-phenyl) ester Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)OC4=C(C=C(C=C4)C#N)OC)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)OC4=C(C=C(C=C4)C#N)OC)C

InChI

InChI=1S/C22H22N4O3S/c1-13-14(2)30-21-19(13)20(24-12-25-21)26-8-6-16(7-9-26)22(27)29-17-5-4-15(11-23)10-18(17)28-3/h4-5,10,12,16H,6-9H2,1-3H3