8-bromanyl-N2-butyl-9-(pyridin-3-ylmethyl)purine-2,6-diamine

Systemtic Name: 8-bromanyl-N2-butyl-9-(pyridin-3-ylmethyl)purine-2,6-diamine Openeye Name: 8-bromo-N2-butyl-9-(3-pyridylmethyl)purine-2,6-diamine CAS Name: 8-bromo-N2-butyl-9-(3-pyridinylmethyl)purine-2,6-diamine IUPAC Name: 8-bromo-2-N-butyl-9-(pyridin-3-ylmethyl)purine-2,6-diamine Traditional Name: [6-amino-8-bromo-9-(3-pyridylmethyl)purin-2-yl]-butyl-amine Formula: C15H18BrN7 MolecularWeight: 376.25432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrN7/c1-2-3-7-19-15-21-12(17)11-13(22-15)23(14(16)20-11)9-10-5-4-6-18-8-10/h4-6,8H,2-3,7,9H2,1H3,(H3,17,19,21,22)