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

Systemtic Name: ethyl 1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[5-(4-chlorophenyl)-4-thieno[2,3-d]pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C20H20ClN3O2S MolecularWeight: 401.9097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN3O2S/c1-2-26-20(25)14-4-3-9-24(10-14)18-17-16(11-27-19(17)23-12-22-18)13-5-7-15(21)8-6-13/h5-8,11-12,14H,2-4,9-10H2,1H3