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

Systemtic Name: ethyl 2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[4-(2-pyridyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-[4-(2-pyridinyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2,5-dimethyl-4-[4-(2-pyridyl)piperazino]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N3CCN(CC3)C4=CC=CC=N4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N3CCN(CC3)C4=CC=CC=N4)C

InChI

InChI=1S/C20H23N5O2S/c1-4-27-20(26)17-13(2)16-18(22-14(3)23-19(16)28-17)25-11-9-24(10-12-25)15-7-5-6-8-21-15/h5-8H,4,9-12H2,1-3H3