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

Systemtic Name: 1-(2,5-dimethyl-6-propan-2-yloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: 1-(6-isopropoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate CAS Name: 1-[2,5-dimethyl-6-[oxo(propan-2-yloxy)methyl]-4-thieno[2,3-d]pyrimidinyl]-4-piperidinecarboxylate IUPAC Name: 1-(2,5-dimethyl-6-propan-2-yloxycarbonylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Traditional Name: 1-(6-isopropoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)isonipecotate Formula: C18H22N3O4S- MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCC(CC3)C(=O)[O-])C)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCC(CC3)C(=O)[O-])C)C(=O)OC(C)C

InChI

InChI=1S/C18H23N3O4S/c1-9(2)25-18(24)14-10(3)13-15(19-11(4)20-16(13)26-14)21-7-5-12(6-8-21)17(22)23/h9,12H,5-8H2,1-4H3,(H,22,23)/p-1