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

Systemtic Name: 8-bromanyl-N2-butyl-9-[(3-chlorophenyl)methyl]purine-2,6-diamine Openeye Name: 8-bromo-N2-butyl-9-[(3-chlorophenyl)methyl]purine-2,6-diamine CAS Name: 8-bromo-N2-butyl-9-[(3-chlorophenyl)methyl]purine-2,6-diamine IUPAC Name: 8-bromo-2-N-butyl-9-[(3-chlorophenyl)methyl]purine-2,6-diamine Traditional Name: [6-amino-8-bromo-9-(3-chlorobenzyl)purin-2-yl]-butyl-amine Formula: C16H18BrClN6 MolecularWeight: 409.71132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrClN6/c1-2-3-7-20-16-22-13(19)12-14(23-16)24(15(17)21-12)9-10-5-4-6-11(18)8-10/h4-6,8H,2-3,7,9H2,1H3,(H3,19,20,22,23)