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

Systemtic Name: 1-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]isonipecotic acid Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3O3S2/c24-16(23-8-6-14(7-9-23)20(25)26)11-28-19-17-15(13-4-2-1-3-5-13)10-27-18(17)21-12-22-19/h1-5,10,12,14H,6-9,11H2,(H,25,26)