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

Systemtic Name: 1-(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: 1-(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate CAS Name: 1-(6-ethoxycarbonyl-5-methyl-4-thieno[2,3-d]pyrimidinyl)-4-piperidinecarboxylate IUPAC Name: 1-(6-ethoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Traditional Name: 1-(6-carbethoxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)isonipecotate Formula: C16H18N3O4S- MolecularWeight: 348.39682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4S/c1-3-23-16(22)12-9(2)11-13(17-8-18-14(11)24-12)19-6-4-10(5-7-19)15(20)21/h8,10H,3-7H2,1-2H3,(H,20,21)/p-1