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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC=NC4=C3OC5=CC=CC=C54

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC=NC4=C3OC5=CC=CC=C54

InChI

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