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

Systemtic Name: 8-bromanyl-N2-butyl-9-[(4-phenylphenyl)methyl]purine-2,6-diamine Openeye Name: 8-bromo-N2-butyl-9-[(4-phenylphenyl)methyl]purine-2,6-diamine CAS Name: 8-bromo-N2-butyl-9-[(4-phenylphenyl)methyl]purine-2,6-diamine IUPAC Name: 8-bromo-2-N-butyl-9-[(4-phenylphenyl)methyl]purine-2,6-diamine Traditional Name: [6-amino-8-bromo-9-(4-phenylbenzyl)purin-2-yl]-butyl-amine Formula: C22H23BrN6 MolecularWeight: 451.36222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN6/c1-2-3-13-25-22-27-19(24)18-20(28-22)29(21(23)26-18)14-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12H,2-3,13-14H2,1H3,(H3,24,25,27,28)