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

Systemtic Name: ethyl 2-(2-methoxy-2-oxidanylidene-ethyl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-(2-methoxy-2-oxo-ethyl)-5-methyl-4-[4-(2-pyridyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(2-methoxy-2-oxoethyl)-5-methyl-4-[4-(2-pyridinyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(2-keto-2-methoxy-ethyl)-5-methyl-4-[4-(2-pyridyl)piperazino]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O4S/c1-4-31-22(29)19-14(2)18-20(24-15(13-17(28)30-3)25-21(18)32-19)27-11-9-26(10-12-27)16-7-5-6-8-23-16/h5-8H,4,9-13H2,1-3H3