ethyl 4-[2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2,5-dimethyl-4-[4-(2-pyridyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2,5-dimethyl-4-[4-(2-pyridinyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2,5-dimethyl-4-[4-(2-pyridyl)piperazino]thieno[2,3-d]pyrimidine-6-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H31N7O3S MolecularWeight: 509.62374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C3=C(N=C(N=C3S2)C)N4CCN(CC4)C5=CC=CC=N5)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C3=C(N=C(N=C3S2)C)N4CCN(CC4)C5=CC=CC=N5)C

InChI

InChI=1S/C25H31N7O3S/c1-4-35-25(34)32-15-13-31(14-16-32)24(33)21-17(2)20-22(27-18(3)28-23(20)36-21)30-11-9-29(10-12-30)19-7-5-6-8-26-19/h5-8H,4,9-16H2,1-3H3