8-bromanyl-N2-butyl-9-[(6-chloranylpyridin-3-yl)methyl]purine-2,6-diamine

Systemtic Name: 8-bromanyl-N2-butyl-9-[(6-chloranylpyridin-3-yl)methyl]purine-2,6-diamine Openeye Name: 8-bromo-N2-butyl-9-[(6-chloro-3-pyridyl)methyl]purine-2,6-diamine CAS Name: 8-bromo-N2-butyl-9-[(6-chloro-3-pyridinyl)methyl]purine-2,6-diamine IUPAC Name: 8-bromo-2-N-butyl-9-[(6-chloropyridin-3-yl)methyl]purine-2,6-diamine Traditional Name: [6-amino-8-bromo-9-[(6-chloro-3-pyridyl)methyl]purin-2-yl]-butyl-amine Formula: C15H17BrClN7 MolecularWeight: 410.69938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrClN7/c1-2-3-6-19-15-22-12(18)11-13(23-15)24(14(16)21-11)8-9-4-5-10(17)20-7-9/h4-5,7H,2-3,6,8H2,1H3,(H3,18,19,22,23)