1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]isonipecotic acid Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC(=O)N3CCC(CC3)C(=O)O)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC(=O)N3CCC(CC3)C(=O)O)C

InChI

InChI=1S/C16H19N3O3S2/c1-9-10(2)24-15-13(9)14(17-8-18-15)23-7-12(20)19-5-3-11(4-6-19)16(21)22/h8,11H,3-7H2,1-2H3,(H,21,22)