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

Systemtic Name: 9-[(2-bromanyl-5-methoxy-phenyl)methyl]-2-butoxy-N-(2-morpholin-4-ylethyl)purin-6-amine Openeye Name: 9-[(2-bromo-5-methoxy-phenyl)methyl]-2-butoxy-N-(2-morpholinoethyl)purin-6-amine CAS Name: 9-[(2-bromo-5-methoxyphenyl)methyl]-2-butoxy-N-[2-(4-morpholinyl)ethyl]-6-purinamine IUPAC Name: 9-[(2-bromo-5-methoxyphenyl)methyl]-2-butoxy-N-(2-morpholin-4-ylethyl)purin-6-amine Traditional Name: [9-(2-bromo-5-methoxy-benzyl)-2-butoxy-purin-6-yl]-(2-morpholinoethyl)amine Formula: C23H31BrN6O3 MolecularWeight: 519.43464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)NCCN3CCOCC3)N=CN2CC4=C(C=CC(=C4)OC)Br

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)NCCN3CCOCC3)N=CN2CC4=C(C=CC(=C4)OC)Br

InChI

InChI=1S/C23H31BrN6O3/c1-3-4-11-33-23-27-21(25-7-8-29-9-12-32-13-10-29)20-22(28-23)30(16-26-20)15-17-14-18(31-2)5-6-19(17)24/h5-6,14,16H,3-4,7-13,15H2,1-2H3,(H,25,27,28)