8-bromanyl-N2-butyl-9-[(4-chloranylpyridin-3-yl)methyl]purine-2,6-diamine

Systemtic Name: 8-bromanyl-N2-butyl-9-[(4-chloranylpyridin-3-yl)methyl]purine-2,6-diamine Openeye Name: 8-bromo-N2-butyl-9-[(4-chloro-3-pyridyl)methyl]purine-2,6-diamine CAS Name: 8-bromo-N2-butyl-9-[(4-chloro-3-pyridinyl)methyl]purine-2,6-diamine IUPAC Name: 8-bromo-2-N-butyl-9-[(4-chloropyridin-3-yl)methyl]purine-2,6-diamine Traditional Name: [6-amino-8-bromo-9-[(4-chloro-3-pyridyl)methyl]purin-2-yl]-butyl-amine Formula: C15H17BrClN7 MolecularWeight: 410.69938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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