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

Systemtic Name: 8-bromanyl-9-(phenylmethyl)-N2-propyl-purine-2,6-diamine Openeye Name: 9-benzyl-8-bromo-N2-propyl-purine-2,6-diamine CAS Name: 8-bromo-9-(phenylmethyl)-N2-propylpurine-2,6-diamine IUPAC Name: 9-benzyl-8-bromo-2-N-propylpurine-2,6-diamine Traditional Name: (6-amino-9-benzyl-8-bromo-purin-2-yl)-propyl-amine Formula: C15H17BrN6 MolecularWeight: 361.23968

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

Isomeric SMILES

CCCNC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

InChI

InChI=1S/C15H17BrN6/c1-2-8-18-15-20-12(17)11-13(21-15)22(14(16)19-11)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H3,17,18,20,21)