8-bromanyl-N2-butyl-9-[(4-phenylmethoxyphenyl)methyl]purine-2,6-diamine

Systemtic Name: 8-bromanyl-N2-butyl-9-[(4-phenylmethoxyphenyl)methyl]purine-2,6-diamine Openeye Name: 9-[(4-benzyloxyphenyl)methyl]-8-bromo-N2-butyl-purine-2,6-diamine CAS Name: 8-bromo-N2-butyl-9-[(4-phenylmethoxyphenyl)methyl]purine-2,6-diamine IUPAC Name: 8-bromo-2-N-butyl-9-[(4-phenylmethoxyphenyl)methyl]purine-2,6-diamine Traditional Name: [6-amino-9-(4-benzoxybenzyl)-8-bromo-purin-2-yl]-butyl-amine Formula: C23H25BrN6O MolecularWeight: 481.3882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=C(C=C3)OCC4=CC=CC=C4)Br

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=C(C=C3)OCC4=CC=CC=C4)Br

InChI

InChI=1S/C23H25BrN6O/c1-2-3-13-26-23-28-20(25)19-21(29-23)30(22(24)27-19)14-16-9-11-18(12-10-16)31-15-17-7-5-4-6-8-17/h4-12H,2-3,13-15H2,1H3,(H3,25,26,28,29)