N-(3-methylphenyl)-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)-7H-purin-8-amine dibromide

Systemtic Name: N-(3-methylphenyl)-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)-7H-purin-8-amine dibromide Openeye Name: 6-morpholino-N-(m-tolyl)-2-[2-(2-pyridyl)ethoxy]-7H-purin-8-amine dibromide CAS Name: N-(3-methylphenyl)-6-(4-morpholinyl)-2-[2-(2-pyridinyl)ethoxy]-7H-purin-8-amine dibromide IUPAC Name: N-(3-methylphenyl)-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)-7H-purin-8-amine dibromide Traditional Name: [6-morpholino-2-[2-(2-pyridyl)ethoxy]-7H-purin-8-yl]-(m-tolyl)amine dibromide Formula: C23H25Br2N7O2-2 MolecularWeight: 591.2983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC3=C(N2)C(=NC(=N3)OCCC4=CC=CC=N4)N5CCOCC5.[Br-].[Br-]

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC3=C(N2)C(=NC(=N3)OCCC4=CC=CC=N4)N5CCOCC5.[Br-].[Br-]

InChI

InChI=1S/C23H25N7O2.2BrH/c1-16-5-4-7-18(15-16)25-22-26-19-20(27-22)28-23(29-21(19)30-10-13-31-14-11-30)32-12-8-17-6-2-3-9-24-17;;/h2-7,9,15H,8,10-14H2,1H3,(H2,25,26,27,28,29);2*1H/p-2