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

Systemtic Name: ethyl 1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)C

InChI

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