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

Systemtic Name: ethyl 5-methyl-2-(piperidin-1-ylmethyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-(1-piperidylmethyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(1-piperidinylmethyl)-4-[4-(2-pyrimidinyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(piperidin-1-ylmethyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-2-(piperidinomethyl)-4-[4-(2-pyrimidyl)piperazino]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C24H31N7O2S MolecularWeight: 481.61364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CN3CCCCC3)N4CCN(CC4)C5=NC=CC=N5)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CN3CCCCC3)N4CCN(CC4)C5=NC=CC=N5)C

InChI

InChI=1S/C24H31N7O2S/c1-3-33-23(32)20-17(2)19-21(30-12-14-31(15-13-30)24-25-8-7-9-26-24)27-18(28-22(19)34-20)16-29-10-5-4-6-11-29/h7-9H,3-6,10-16H2,1-2H3