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

Systemtic Name: 1-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(6-ethylthieno[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:

CCC1=CC2=C(S1)N=CN=C2SCC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CC2=C(S1)N=CN=C2SCC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C16H19N3O3S2/c1-2-11-7-12-14(17-9-18-15(12)24-11)23-8-13(20)19-5-3-10(4-6-19)16(21)22/h7,9-10H,2-6,8H2,1H3,(H,21,22)