2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-(2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)sulfanyl-N-phenethyl-acetamide CAS Name: 2-[(2-ethyl-4-benzofuro[3,2-d]pyrimidinyl)thio]-N-phenethylacetamide IUPAC Name: 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-phenethylacetamide Traditional Name: 2-[(2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio]-N-phenethyl-acetamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)SCC(=O)NCCC3=CC=CC=C3)OC4=CC=CC=C42

Isomeric SMILES

CCC1=NC2=C(C(=N1)SCC(=O)NCCC3=CC=CC=C3)OC4=CC=CC=C42

InChI

InChI=1S/C22H21N3O2S/c1-2-18-24-20-16-10-6-7-11-17(16)27-21(20)22(25-18)28-14-19(26)23-13-12-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,23,26)