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

Systemtic Name: 6-ethyl-4-[4-(2-phenylethanoyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-2-carbonitrile Openeye Name: 6-ethyl-4-[4-(2-phenylacetyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-2-carbonitrile CAS Name: 6-ethyl-4-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]-2-thieno[2,3-d]pyrimidinecarbonitrile IUPAC Name: 6-ethyl-4-[4-(2-phenylacetyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-2-carbonitrile Traditional Name: 6-ethyl-4-[4-(2-phenylacetyl)piperazino]thieno[2,3-d]pyrimidine-2-carbonitrile Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5OS/c1-2-16-13-17-20(23-18(14-22)24-21(17)28-16)26-10-8-25(9-11-26)19(27)12-15-6-4-3-5-7-15/h3-7,13H,2,8-12H2,1H3