6-ethyl-4-[4-(2-phenylethanoyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-2-carboxylic acid

Systemtic Name: 6-ethyl-4-[4-(2-phenylethanoyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-2-carboxylic acid Openeye Name: 6-ethyl-4-[4-(2-phenylacetyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-2-carboxylic acid CAS Name: 6-ethyl-4-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]-2-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 6-ethyl-4-[4-(2-phenylacetyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-2-carboxylic acid Traditional Name: 6-ethyl-4-[4-(2-phenylacetyl)piperazino]thieno[2,3-d]pyrimidine-2-carboxylic acid Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)C(=O)O)N3CCN(CC3)C(=O)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)C(=O)O)N3CCN(CC3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S/c1-2-15-13-16-19(22-18(21(27)28)23-20(16)29-15)25-10-8-24(9-11-25)17(26)12-14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,27,28)