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

Systemtic Name: 8-bromanyl-N2-butyl-9-(phenylmethyl)purine-2,6-diamine Openeye Name: 9-benzyl-8-bromo-N2-butyl-purine-2,6-diamine CAS Name: 8-bromo-N2-butyl-9-(phenylmethyl)purine-2,6-diamine IUPAC Name: 9-benzyl-8-bromo-2-N-butylpurine-2,6-diamine Traditional Name: (6-amino-9-benzyl-8-bromo-purin-2-yl)-butyl-amine Formula: C16H19BrN6 MolecularWeight: 375.26626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN6/c1-2-3-9-19-16-21-13(18)12-14(22-16)23(15(17)20-12)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H3,18,19,21,22)