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

Systemtic Name: 8-bromanyl-N2-butyl-9-[(4-tert-butylphenyl)methyl]purine-2,6-diamine Openeye Name: 8-bromo-N2-butyl-9-[(4-tert-butylphenyl)methyl]purine-2,6-diamine CAS Name: 8-bromo-N2-butyl-9-[(4-tert-butylphenyl)methyl]purine-2,6-diamine IUPAC Name: 8-bromo-2-N-butyl-9-[(4-tert-butylphenyl)methyl]purine-2,6-diamine Traditional Name: [6-amino-8-bromo-9-(4-tert-butylbenzyl)purin-2-yl]-butyl-amine Formula: C20H27BrN6 MolecularWeight: 431.37258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27BrN6/c1-5-6-11-23-19-25-16(22)15-17(26-19)27(18(21)24-15)12-13-7-9-14(10-8-13)20(2,3)4/h7-10H,5-6,11-12H2,1-4H3,(H3,22,23,25,26)