CAS 784172-20-9

Ethyl 2-[(4-chlorophenyl)methyl]-3,4-dihydro-5-methyl-4-thioxothieno[2,3-d]pyrimidine-6-carboxylate

Description:

Ethyl 2-[(4-chlorophenyl)methyl]-3,4-dihydro-5-methyl-4-thioxothieno[2,3-d]pyrimidine-6-carboxylate, with CAS number 784172-20-9, is a synthetic organic compound characterized by its complex heterocyclic structure, which includes a thieno[2,3-d]pyrimidine core. This compound features a thioxo group, contributing to its potential reactivity and biological activity. The presence of an ethyl ester group enhances its solubility in organic solvents, making it suitable for various applications in medicinal chemistry. The 4-chlorophenylmethyl substituent may influence its pharmacological properties, potentially enhancing its interaction with biological targets. The compound's structural features suggest it may exhibit interesting biological activities, possibly as an antimicrobial or anticancer agent, although specific biological data would be necessary to confirm such properties. Its synthesis and characterization would typically involve standard organic chemistry techniques, including NMR and mass spectrometry for structural confirmation. Overall, this compound represents a class of thienopyrimidine derivatives that are of interest in drug discovery and development.

Formula: C₁₇H₁₅ClN₂O₂S₂

InChI: InChI=1S/C17H15ClN2O2S2/c1-3-22-17(21)14-9(2)13-15(23)19-12(20-16(13)24-14)8-10-4-6-11(18)7-5-10/h4-7H,3,8H2,1-2H3,(H,19,20,23)

InChI key: InChIKey=RCWOVCVMWKZPJD-UHFFFAOYSA-N

SMILES: CC=1C2=C(SC1C(OCC)=O)NC(CC3=CC=C(Cl)C=C3)=NC2=S

Synonyms:

• Ethyl 2-[(4-chlorophenyl)methyl]-3,4-dihydro-5-methyl-4-thioxothieno[2,3-d]pyrimidine-6-carboxylate
• Thieno[2,3-d]pyrimidine-6-carboxylic acid, 2-[(4-chlorophenyl)methyl]-3,4-dihydro-5-methyl-4-thioxo-, ethyl ester
• Thieno[2,3-d]pyrimidine-6-carboxylic acid, 2-[(4-chlorophenyl)methyl]-1,4-dihydro-5-methyl-4-thioxo-, ethyl ester