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

Systemtic Name: 1-[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: 1-[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-(4-ethoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]-4-piperidinecarboxylate IUPAC Name: 1-[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-(5-p-phenetylthieno[2,3-d]pyrimidin-4-yl)isonipecotate Formula: C20H20N3O3S- MolecularWeight: 382.4561

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCC(CC4)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCC(CC4)C(=O)[O-]

InChI

InChI=1S/C20H21N3O3S/c1-2-26-15-5-3-13(4-6-15)16-11-27-19-17(16)18(21-12-22-19)23-9-7-14(8-10-23)20(24)25/h3-6,11-12,14H,2,7-10H2,1H3,(H,24,25)/p-1