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

Systemtic Name: 2-methylpropyl-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride Openeye Name: isobutyl-(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)ammonium chloride CAS Name: 2-methylpropyl-(2-phenyl-4-benzofuro[3,2-d]pyrimidinyl)ammonium chloride IUPAC Name: 2-methylpropyl-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride Traditional Name: isobutyl-(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)ammonium chloride Formula: C20H20ClN3O MolecularWeight: 353.8453

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O.ClH/c1-13(2)12-21-20-18-17(15-10-6-7-11-16(15)24-18)22-19(23-20)14-8-4-3-5-9-14;/h3-11,13H,12H2,1-2H3,(H,21,22,23);1H