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

Systemtic Name: 1-[2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]isonipecotic acid Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC(=O)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC(=O)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C21H21N3O3S2/c1-13-22-19(28-12-18(25)24-9-7-15(8-10-24)21(26)27)16-11-17(29-20(16)23-13)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,26,27)