[(1S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-(4-benzofuro[3,2-d]pyrimidinylamino)-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-1-phenyl-ethyl]-dimethyl-ammonium Formula: C20H21N4O+ MolecularWeight: 333.40694

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=NC=NC2=C1OC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)[C@H](CNC1=NC=NC2=C1OC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C20H20N4O/c1-24(2)16(14-8-4-3-5-9-14)12-21-20-19-18(22-13-23-20)15-10-6-7-11-17(15)25-19/h3-11,13,16H,12H2,1-2H3,(H,21,22,23)/p+1/t16-/m1/s1