CAS 1105191-84-1

1,2,3,6-Tetrahydro-6-oxo-N-(phenylmethyl)-2-thioxo-4-pyrimidineacetamide

Description:

1,2,3,6-Tetrahydro-6-oxo-N-(phenylmethyl)-2-thioxo-4-pyrimidineacetamide is a chemical compound characterized by its complex structure, which includes a pyrimidine ring fused with a tetrahydro moiety. This compound features a thioxo group, indicating the presence of a sulfur atom double-bonded to a carbon atom, contributing to its reactivity and potential biological activity. The phenylmethyl group attached to the nitrogen atom enhances its lipophilicity, which may influence its pharmacokinetic properties. The presence of the acetamide functional group suggests potential interactions in biological systems, making it of interest in medicinal chemistry. Its unique structural features may confer specific properties such as solubility, stability, and reactivity, which are critical for its application in drug development or as a biochemical probe. Overall, this compound exemplifies the diversity of heterocyclic chemistry and its relevance in the synthesis of novel therapeutic agents.

Formula: C₁₃H₁₃N₃O₂S

InChI: InChI=1S/C13H13N3O2S/c17-11(14-8-9-4-2-1-3-5-9)6-10-7-12(18)16-13(19)15-10/h1-5,7H,6,8H2,(H,14,17)(H2,15,16,18,19)

InChI key: InChIKey=CIQCRFANJFLWNH-UHFFFAOYSA-N

SMILES: C(C(NCC1=CC=CC=C1)=O)C2=CC(=O)NC(=S)N2

Synonyms:

• 4-Pyrimidineacetamide, 1,2,3,6-tetrahydro-6-oxo-N-(phenylmethyl)-2-thioxo-
• 1,2,3,6-Tetrahydro-6-oxo-N-(phenylmethyl)-2-thioxo-4-pyrimidineacetamide