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

Systemtic Name: ethyl 4-(4-ethanoylpiperazin-1-yl)-5-methyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(4-acetylpiperazin-1-yl)-5-methyl-2-(1-piperidylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-acetyl-1-piperazinyl)-5-methyl-2-(1-piperidinylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-acetylpiperazin-1-yl)-5-methyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-acetylpiperazino)-5-methyl-2-(piperidinomethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H31N5O3S MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CN3CCCCC3)N4CCN(CC4)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CN3CCCCC3)N4CCN(CC4)C(=O)C)C

InChI

InChI=1S/C22H31N5O3S/c1-4-30-22(29)19-15(2)18-20(27-12-10-26(11-13-27)16(3)28)23-17(24-21(18)31-19)14-25-8-6-5-7-9-25/h4-14H2,1-3H3