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

Systemtic Name: methyl 1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-(4-chlorophenyl)-4-thieno[2,3-d]pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O2S/c1-25-19(24)13-6-8-23(9-7-13)17-16-15(10-26-18(16)22-11-21-17)12-2-4-14(20)5-3-12/h2-5,10-11,13H,6-9H2,1H3