1-(6-ethoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate

Systemtic Name: 1-(6-ethoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: 1-(6-ethoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate CAS Name: 1-(6-ethoxycarbonyl-2,5-dimethyl-4-thieno[2,3-d]pyrimidinyl)-4-piperidinecarboxylate IUPAC Name: 1-(6-ethoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Traditional Name: 1-(6-carbethoxy-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)isonipecotate Formula: C17H20N3O4S- MolecularWeight: 362.4234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N3CCC(CC3)C(=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N3CCC(CC3)C(=O)[O-])C

InChI

InChI=1S/C17H21N3O4S/c1-4-24-17(23)13-9(2)12-14(18-10(3)19-15(12)25-13)20-7-5-11(6-8-20)16(21)22/h11H,4-8H2,1-3H3,(H,21,22)/p-1