3-methylbutyl-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride

Systemtic Name: 3-methylbutyl-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride Openeye Name: isopentyl-(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)ammonium chloride CAS Name: 3-methylbutyl-(2-phenyl-4-benzofuro[3,2-d]pyrimidinyl)ammonium chloride IUPAC Name: 3-methylbutyl-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride Traditional Name: isoamyl-(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)ammonium chloride Formula: C21H22ClN3O MolecularWeight: 367.87188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH2+]C1=NC(=NC2=C1OC3=CC=CC=C32)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC(C)CC[NH2+]C1=NC(=NC2=C1OC3=CC=CC=C32)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H21N3O.ClH/c1-14(2)12-13-22-21-19-18(16-10-6-7-11-17(16)25-19)23-20(24-21)15-8-4-3-5-9-15;/h3-11,14H,12-13H2,1-2H3,(H,22,23,24);1H