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

Systemtic Name: 1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: 1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-(3,4-dimethylphenyl)-4-thieno[2,3-d]pyrimidinyl]-4-piperidinecarboxylate IUPAC Name: 1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]isonipecotate Formula: C20H20N3O2S- MolecularWeight: 366.4567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCC(CC4)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCC(CC4)C(=O)[O-])C

InChI

InChI=1S/C20H21N3O2S/c1-12-3-4-15(9-13(12)2)16-10-26-19-17(16)18(21-11-22-19)23-7-5-14(6-8-23)20(24)25/h3-4,9-11,14H,5-8H2,1-2H3,(H,24,25)/p-1