8-bromanyl-N2-butyl-9-phenethyl-purine-2,6-diamine

Systemtic Name: 8-bromanyl-N2-butyl-9-phenethyl-purine-2,6-diamine Openeye Name: 8-bromo-N2-butyl-9-phenethyl-purine-2,6-diamine CAS Name: 8-bromo-N2-butyl-9-phenethylpurine-2,6-diamine IUPAC Name: 8-bromo-2-N-butyl-9-phenethylpurine-2,6-diamine Traditional Name: (6-amino-8-bromo-9-phenethyl-purin-2-yl)-butyl-amine Formula: C17H21BrN6 MolecularWeight: 389.29284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)N=C(N2CCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)N=C(N2CCC3=CC=CC=C3)Br

InChI

InChI=1S/C17H21BrN6/c1-2-3-10-20-17-22-14(19)13-15(23-17)24(16(18)21-13)11-9-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H3,19,20,22,23)