(2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N,N-diethyl-2-phenyl-ethanamide

Systemtic Name: (2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N,N-diethyl-2-phenyl-ethanamide Openeye Name: (2S)-2-(benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N,N-diethyl-2-phenyl-acetamide CAS Name: (2S)-2-(4-benzofuro[3,2-d]pyrimidinylthio)-N,N-diethyl-2-phenylacetamide IUPAC Name: (2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N,N-diethyl-2-phenylacetamide Traditional Name: (2S)-2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-N,N-diethyl-2-phenyl-acetamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C1=CC=CC=C1)SC2=NC=NC3=C2OC4=CC=CC=C43

Isomeric SMILES

CCN(CC)C(=O)[C@H](C1=CC=CC=C1)SC2=NC=NC3=C2OC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O2S/c1-3-25(4-2)22(26)20(15-10-6-5-7-11-15)28-21-19-18(23-14-24-21)16-12-8-9-13-17(16)27-19/h5-14,20H,3-4H2,1-2H3/t20-/m0/s1