ethyl 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[4-(coumaran-5-ylmethyl)piperazino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5)C

InChI

InChI=1S/C23H26N4O3S/c1-3-29-23(28)20-15(2)19-21(24-14-25-22(19)31-20)27-9-7-26(8-10-27)13-16-4-5-18-17(12-16)6-11-30-18/h4-5,12,14H,3,6-11,13H2,1-2H3