ethyl 5-methyl-4-(4-phenethylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-(4-phenethylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-(4-phenethylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(4-phenethyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(4-phenethylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(4-phenethylpiperazino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H26N4O2S MolecularWeight: 410.53244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)CCC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)CCC4=CC=CC=C4)C

InChI

InChI=1S/C22H26N4O2S/c1-3-28-22(27)19-16(2)18-20(23-15-24-21(18)29-19)26-13-11-25(12-14-26)10-9-17-7-5-4-6-8-17/h4-8,15H,3,9-14H2,1-2H3