2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 2-(4-benzofuro[3,2-d]pyrimidinylthio)-1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)CSC3=NC=NC4=C3OC5=CC=CC=C54

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)CSC3=NC=NC4=C3OC5=CC=CC=C54

InChI

InChI=1S/C21H18N4O3S/c26-16(13-9-15(22-10-13)21(27)25-7-3-4-8-25)11-29-20-19-18(23-12-24-20)14-5-1-2-6-17(14)28-19/h1-2,5-6,9-10,12,22H,3-4,7-8,11H2