8-bromanyl-N2-butyl-9-(naphthalen-1-ylmethyl)purine-2,6-diamine

Systemtic Name: 8-bromanyl-N2-butyl-9-(naphthalen-1-ylmethyl)purine-2,6-diamine Openeye Name: 8-bromo-N2-butyl-9-(1-naphthylmethyl)purine-2,6-diamine CAS Name: 8-bromo-N2-butyl-9-(1-naphthalenylmethyl)purine-2,6-diamine IUPAC Name: 8-bromo-2-N-butyl-9-(naphthalen-1-ylmethyl)purine-2,6-diamine Traditional Name: [6-amino-8-bromo-9-(1-naphthylmethyl)purin-2-yl]-butyl-amine Formula: C20H21BrN6 MolecularWeight: 425.32494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC4=CC=CC=C43)Br

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC4=CC=CC=C43)Br

InChI

InChI=1S/C20H21BrN6/c1-2-3-11-23-20-25-17(22)16-18(26-20)27(19(21)24-16)12-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,2-3,11-12H2,1H3,(H3,22,23,25,26)