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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)NCCCC)N)N=C2Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)NCCCC)N)N=C2Br

InChI

InChI=1S/C20H27BrN6/c1-3-5-7-14-8-10-15(11-9-14)13-27-18-16(24-19(27)21)17(22)25-20(26-18)23-12-6-4-2/h8-11H,3-7,12-13H2,1-2H3,(H3,22,23,25,26)