1-(5-methyl-6-propan-2-yloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid

Systemtic Name: 1-(5-methyl-6-propan-2-yloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid Openeye Name: 1-(6-isopropoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid CAS Name: 1-[5-methyl-6-[oxo(propan-2-yloxy)methyl]-4-thieno[2,3-d]pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(5-methyl-6-propan-2-yloxycarbonylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid Traditional Name: 1-(6-isopropoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)isonipecotic acid Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-9(2)24-17(23)13-10(3)12-14(18-8-19-15(12)25-13)20-6-4-11(5-7-20)16(21)22/h8-9,11H,4-7H2,1-3H3,(H,21,22)