8-bromanyl-N2-phenethyl-9-(phenylmethyl)purine-2,6-diamine

Systemtic Name: 8-bromanyl-N2-phenethyl-9-(phenylmethyl)purine-2,6-diamine Openeye Name: 9-benzyl-8-bromo-N2-phenethyl-purine-2,6-diamine CAS Name: 8-bromo-N2-phenethyl-9-(phenylmethyl)purine-2,6-diamine IUPAC Name: 9-benzyl-8-bromo-2-N-phenethylpurine-2,6-diamine Traditional Name: (6-amino-9-benzyl-8-bromo-purin-2-yl)-phenethyl-amine Formula: C20H19BrN6 MolecularWeight: 423.30906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC3=C(C(=N2)N)N=C(N3CC4=CC=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC3=C(C(=N2)N)N=C(N3CC4=CC=CC=C4)Br

InChI

InChI=1S/C20H19BrN6/c21-19-24-16-17(22)25-20(23-12-11-14-7-3-1-4-8-14)26-18(16)27(19)13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H3,22,23,25,26)