CAS 744227-39-2

5-(3-Chlorophenyl)-2,3-dihydro-6-methyl-3-(phenylmethyl)-2-thioxothieno[2,3-d]pyrimidin-4(1H)-one

Description:

5-(3-Chlorophenyl)-2,3-dihydro-6-methyl-3-(phenylmethyl)-2-thioxothieno[2,3-d]pyrimidin-4(1H)-one, with CAS number 744227-39-2, is a synthetic organic compound characterized by its complex heterocyclic structure. This compound features a thieno[2,3-d]pyrimidine core, which is notable for its potential biological activity, particularly in medicinal chemistry. The presence of a thioxo group contributes to its reactivity and may influence its interaction with biological targets. The chlorophenyl and phenylmethyl substituents enhance its lipophilicity, potentially affecting its pharmacokinetic properties. This compound may exhibit various biological activities, including antimicrobial or anticancer properties, making it of interest in drug discovery. Its synthesis typically involves multi-step organic reactions, and it may be characterized using techniques such as NMR spectroscopy, mass spectrometry, and X-ray crystallography to confirm its structure and purity. As with many heterocyclic compounds, understanding its chemical behavior and interactions is crucial for evaluating its potential applications in pharmaceuticals.

Formula: C₂₀H₁₅ClN₂OS₂

InChI: InChI=1S/C20H15ClN2OS2/c1-12-16(14-8-5-9-15(21)10-14)17-18(26-12)22-20(25)23(19(17)24)11-13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,22,25)

InChI key: InChIKey=LYOVYJIRYYVLAK-UHFFFAOYSA-N

SMILES: O=C1C=2C(=C(C)SC2NC(=S)N1CC3=CC=CC=C3)C4=CC(Cl)=CC=C4

Synonyms:

• Thieno[2,3-d]pyrimidin-4(1H)-one, 5-(3-chlorophenyl)-2,3-dihydro-6-methyl-3-(phenylmethyl)-2-thioxo-
• 5-(3-Chlorophenyl)-2,3-dihydro-6-methyl-3-(phenylmethyl)-2-thioxothieno[2,3-d]pyrimidin-4(1H)-one