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

Systemtic Name: 9-[(4-bromophenyl)methyl]-2-butoxy-N-(2-morpholin-4-ylethyl)purin-6-amine Openeye Name: 9-[(4-bromophenyl)methyl]-2-butoxy-N-(2-morpholinoethyl)purin-6-amine CAS Name: 9-[(4-bromophenyl)methyl]-2-butoxy-N-[2-(4-morpholinyl)ethyl]-6-purinamine IUPAC Name: 9-[(4-bromophenyl)methyl]-2-butoxy-N-(2-morpholin-4-ylethyl)purin-6-amine Traditional Name: [9-(4-bromobenzyl)-2-butoxy-purin-6-yl]-(2-morpholinoethyl)amine Formula: C22H29BrN6O2 MolecularWeight: 489.40866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29BrN6O2/c1-2-3-12-31-22-26-20(24-8-9-28-10-13-30-14-11-28)19-21(27-22)29(16-25-19)15-17-4-6-18(23)7-5-17/h4-7,16H,2-3,8-15H2,1H3,(H,24,26,27)