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

Systemtic Name: 8-bromanyl-N2-(2,2-dimethylpropyl)-9-(phenylmethyl)purine-2,6-diamine Openeye Name: 9-benzyl-8-bromo-N2-(2,2-dimethylpropyl)purine-2,6-diamine CAS Name: 8-bromo-N2-(2,2-dimethylpropyl)-9-(phenylmethyl)purine-2,6-diamine IUPAC Name: 9-benzyl-8-bromo-2-N-(2,2-dimethylpropyl)purine-2,6-diamine Traditional Name: (6-amino-9-benzyl-8-bromo-purin-2-yl)-neopentyl-amine Formula: C17H21BrN6 MolecularWeight: 389.29284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)(C)CNC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

InChI

InChI=1S/C17H21BrN6/c1-17(2,3)10-20-16-22-13(19)12-14(23-16)24(15(18)21-12)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H3,19,20,22,23)