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

Systemtic Name: ethyl 4-(4-ethoxycarbonylpiperazin-1-yl)-5-methyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(4-ethoxycarbonylpiperazin-1-yl)-5-methyl-2-(1-piperidylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-ethoxycarbonyl-1-piperazinyl)-5-methyl-2-(1-piperidinylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxycarbonylpiperazin-1-yl)-5-methyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-carbethoxypiperazino)-5-methyl-2-(piperidinomethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H33N5O4S MolecularWeight: 475.60422

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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)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H33N5O4S/c1-4-31-22(29)19-16(3)18-20(27-11-13-28(14-12-27)23(30)32-5-2)24-17(25-21(18)33-19)15-26-9-7-6-8-10-26/h4-15H2,1-3H3