ethyl 6-ethyl-4-[4-(2-phenylethanoyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-2-carboxylate

Systemtic Name: ethyl 6-ethyl-4-[4-(2-phenylethanoyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-2-carboxylate Openeye Name: ethyl 6-ethyl-4-[4-(2-phenylacetyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-2-carboxylate CAS Name: 6-ethyl-4-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]-2-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-4-[4-(2-phenylacetyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-2-carboxylate Traditional Name: 6-ethyl-4-[4-(2-phenylacetyl)piperazino]thieno[2,3-d]pyrimidine-2-carboxylic acid ethyl ester Formula: C23H26N4O3S MolecularWeight: 438.54254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)C(=O)OCC)N3CCN(CC3)C(=O)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)C(=O)OCC)N3CCN(CC3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c1-3-17-15-18-21(24-20(23(29)30-4-2)25-22(18)31-17)27-12-10-26(11-13-27)19(28)14-16-8-6-5-7-9-16/h5-9,15H,3-4,10-14H2,1-2H3