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

Systemtic Name: ethyl 1-[2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[2,5-dimethyl-4-[4-(2-pyridyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2,5-dimethyl-4-[4-(2-pyridinyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2,5-dimethyl-4-[4-(2-pyridyl)piperazino]thieno[2,3-d]pyrimidine-6-carbonyl]nipecotic acid ethyl ester Formula: C26H32N6O3S MolecularWeight: 508.63568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C3=C(N=C(N=C3S2)C)N4CCN(CC4)C5=CC=CC=N5)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C3=C(N=C(N=C3S2)C)N4CCN(CC4)C5=CC=CC=N5)C

InChI

InChI=1S/C26H32N6O3S/c1-4-35-26(34)19-8-7-11-32(16-19)25(33)22-17(2)21-23(28-18(3)29-24(21)36-22)31-14-12-30(13-15-31)20-9-5-6-10-27-20/h5-6,9-10,19H,4,7-8,11-16H2,1-3H3