2-butoxy-9-[(2-fluoranyl-6-nitro-phenyl)methyl]-N-(2-morpholin-4-ylethyl)purin-6-amine

Systemtic Name: 2-butoxy-9-[(2-fluoranyl-6-nitro-phenyl)methyl]-N-(2-morpholin-4-ylethyl)purin-6-amine Openeye Name: 2-butoxy-9-[(2-fluoro-6-nitro-phenyl)methyl]-N-(2-morpholinoethyl)purin-6-amine CAS Name: 2-butoxy-9-[(2-fluoro-6-nitrophenyl)methyl]-N-[2-(4-morpholinyl)ethyl]-6-purinamine IUPAC Name: 2-butoxy-9-[(2-fluoro-6-nitrophenyl)methyl]-N-(2-morpholin-4-ylethyl)purin-6-amine Traditional Name: [2-butoxy-9-(2-fluoro-6-nitro-benzyl)purin-6-yl]-(2-morpholinoethyl)amine Formula: C22H28FN7O4 MolecularWeight: 473.500623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)NCCN3CCOCC3)N=CN2CC4=C(C=CC=C4F)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)NCCN3CCOCC3)N=CN2CC4=C(C=CC=C4F)[N+](=O)[O-]

InChI

InChI=1S/C22H28FN7O4/c1-2-3-11-34-22-26-20(24-7-8-28-9-12-33-13-10-28)19-21(27-22)29(15-25-19)14-16-17(23)5-4-6-18(16)30(31)32/h4-6,15H,2-3,7-14H2,1H3,(H,24,26,27)