2-(6-ethyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-(6-ethyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-ynyl-ethanamide Openeye Name: 2-(6-ethyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-ynyl-acetamide CAS Name: 2-[(6-ethyl-4-oxo-3-phenethyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-prop-2-ynylacetamide IUPAC Name: 2-(6-ethyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-ynylacetamide Traditional Name: 2-[(6-ethyl-4-keto-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-propargyl-acetamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC(=O)NCC#C

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC(=O)NCC#C

InChI

InChI=1S/C21H21N3O2S2/c1-3-11-22-18(25)14-27-21-23-19-17(13-16(4-2)28-19)20(26)24(21)12-10-15-8-6-5-7-9-15/h1,5-9,13H,4,10-12,14H2,2H3,(H,22,25)