2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-(4-benzofuro[3,2-d]pyrimidinylthio)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC=NC4=C3OC5=CC=CC=C54

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC=NC4=C3OC5=CC=CC=C54

InChI

InChI=1S/C21H17N3O2S/c25-18(24-10-9-14-5-1-2-6-15(14)11-24)12-27-21-20-19(22-13-23-21)16-7-3-4-8-17(16)26-20/h1-8,13H,9-12H2