2-butoxy-9-[(2-methoxy-5-nitro-phenyl)methyl]-N-(2-morpholin-4-ylethyl)purin-6-amine

Systemtic Name: 2-butoxy-9-[(2-methoxy-5-nitro-phenyl)methyl]-N-(2-morpholin-4-ylethyl)purin-6-amine Openeye Name: 2-butoxy-9-[(2-methoxy-5-nitro-phenyl)methyl]-N-(2-morpholinoethyl)purin-6-amine CAS Name: 2-butoxy-9-[(2-methoxy-5-nitrophenyl)methyl]-N-[2-(4-morpholinyl)ethyl]-6-purinamine IUPAC Name: 2-butoxy-9-[(2-methoxy-5-nitrophenyl)methyl]-N-(2-morpholin-4-ylethyl)purin-6-amine Traditional Name: [2-butoxy-9-(2-methoxy-5-nitro-benzyl)purin-6-yl]-(2-morpholinoethyl)amine Formula: C23H31N7O5 MolecularWeight: 485.53614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)NCCN3CCOCC3)N=CN2CC4=C(C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)NCCN3CCOCC3)N=CN2CC4=C(C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C23H31N7O5/c1-3-4-11-35-23-26-21(24-7-8-28-9-12-34-13-10-28)20-22(27-23)29(16-25-20)15-17-14-18(30(31)32)5-6-19(17)33-2/h5-6,14,16H,3-4,7-13,15H2,1-2H3,(H,24,26,27)